CID 16076323

N-[[(1s,2r,5s)-6,6-dimethylnorpinan-2-yl]methyl]-n'-(4-methylcyclohexyl)ethane-1,2-diamine

Structural Information

Molecular Formula
C19H36N2
SMILES
CC1CCC(CC1)NCCNC[C@@H]2CC[C@H]3C[C@@H]2C3(C)C
InChI
InChI=1S/C19H36N2/c1-14-4-8-17(9-5-14)21-11-10-20-13-15-6-7-16-12-18(15)19(16,2)3/h14-18,20-21H,4-13H2,1-3H3/t14?,15-,16-,17?,18-/m0/s1
InChIKey
FAEJGVAPTHCPBZ-LZJIOBQVSA-N
Compound name
N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]-N'-(4-methylcyclohexyl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.28784 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.29512 183.0
[M+Na]+ 315.27706 182.3
[M-H]- 291.28056 182.7
[M+NH4]+ 310.32166 197.3
[M+K]+ 331.25100 181.6
[M+H-H2O]+ 275.28510 171.3
[M+HCOO]- 337.28604 192.0
[M+CH3COO]- 351.30169 217.9
[M+Na-2H]- 313.26251 186.8
[M]+ 292.28729 188.5
[M]- 292.28839 188.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.