CID 85931

3,3,5-trimethylcyclohexylamine

Structural Information

Molecular Formula

C₉H₁₉N

SMILES

CC1CC(CC(C1)(C)C)N

InChI

InChI=1S/C9H19N/c1-7-4-8(10)6-9(2,3)5-7/h7-8H,4-6,10H2,1-3H3

InChIKey

ZGMQLPDXPUINCQ-UHFFFAOYSA-N

Compound name

3,3,5-trimethylcyclohexan-1-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 847
Patents: 141.15175 Da
Monoisotopic Mass: 2.4
XlogP (predicted)

Profile

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]+	142.15903	132.4
[M+Na]+	164.14097	143.0
[M+NH4]+	159.18557	143.3
[M+K]+	180.11491	134.9
[M-H]-	140.14447	135.5
[M+Na-2H]-	162.12642	138.9
[M]+	141.15120	134.8
[M]-	141.15230	134.8

Literature stripe

literature stripe

Patent stripe

patents stripe