PubChemLite - Di(isobornylphenyl)amine (C32H43N)

Structural Information

Molecular Formula

SMILES

CC1C2CCC(C1C3=CC=C(C=C3)NC4=CC=CC(=C4)C5C(C6CCC5C6(C)C)C)C2(C)C

InChI

InChI=1S/C32H43N/c1-19-25-14-16-27(31(25,3)4)29(19)21-10-12-23(13-11-21)33-24-9-7-8-22(18-24)30-20(2)26-15-17-28(30)32(26,5)6/h7-13,18-20,25-30,33H,14-17H2,1-6H3

InChIKey

OSESFOQKXIFNDW-UHFFFAOYSA-N

Compound name

3-(3,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-N-[4-(3,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)phenyl]aniline

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]+	442.34682	212.6
[M+Na]+	464.32876	219.2
[M-H]-	440.33226	224.9
[M+NH4]+	459.37336	236.2
[M+K]+	480.30270	210.4
[M+H-H2O]+	424.33680	207.3
[M+HCOO]-	486.33774	228.1
[M+CH3COO]-	500.35339	221.8
[M+Na-2H]-	462.31421	203.2
[M]+	441.33899	212.0
[M]-	441.34009	212.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

442.34682

212.6

[M+Na]+

464.32876

219.2

[M-H]-

440.33226

224.9

[M+NH4]+

459.37336

236.2

[M+K]+

480.30270

210.4

[M+H-H2O]+

424.33680

207.3

[M+HCOO]-

486.33774

228.1

[M+CH3COO]-

500.35339

221.8

[M+Na-2H]-

462.31421

203.2

[M]+

441.33899

212.0

[M]-

441.34009

212.0

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

Di(isobornylphenyl)amine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe