PubChemLite - N-[[(1s,2r,5s)-6,6-dimethylnorpinan-2-yl]methyl]-n'-[(1r,2r,3r,5s)-2,6,6-trimethylnorpinan-3-yl]ethane-1,2-diamine (C22H40N2)

Structural Information

Molecular Formula

SMILES

C[C@@H]1[C@H]2C[C@H](C2(C)C)C[C@H]1NCCNC[C@@H]3CC[C@H]4C[C@@H]3C4(C)C

InChI

InChI=1S/C22H40N2/c1-14-18-11-17(22(18,4)5)12-20(14)24-9-8-23-13-15-6-7-16-10-19(15)21(16,2)3/h14-20,23-24H,6-13H2,1-5H3/t14-,15+,16+,17+,18-,19+,20-/m1/s1

InChIKey

LFICFOCPXCXJCC-OSIAAWHGSA-N

Compound name

N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]-N'-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]ethane-1,2-diamine

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	333.32643	225.1
[M+Na]+	355.30837	223.2
[M-H]-	331.31187	221.6
[M+NH4]+	350.35297	235.3
[M+K]+	371.28231	223.8
[M+H-H2O]+	315.31641	209.2
[M+HCOO]-	377.31735	224.5
[M+CH3COO]-	391.33300	226.6
[M+Na-2H]-	353.29382	226.1
[M]+	332.31860	241.0
[M]-	332.31970	241.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

333.32643

225.1

[M+Na]+

355.30837

223.2

[M-H]-

331.31187

221.6

[M+NH4]+

350.35297

235.3

[M+K]+

371.28231

223.8

[M+H-H2O]+

315.31641

209.2

[M+HCOO]-

377.31735

224.5

[M+CH3COO]-

391.33300

226.6

[M+Na-2H]-

353.29382

226.1

[M]+

332.31860

241.0

[M]-

332.31970

241.0

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

N-[[(1s,2r,5s)-6,6-dimethylnorpinan-2-yl]methyl]-n'-[(1r,2r,3r,5s)-2,6,6-trimethylnorpinan-3-yl]ethane-1,2-diamine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe