CID 117274

25724-35-0

Structural Information

Molecular Formula

C₁₀H₂₂N₂O

SMILES

CC1(CC(CC(C1)(N)O)(C)CN)C

InChI

InChI=1S/C10H22N2O/c1-8(2)4-9(3,7-11)6-10(12,13)5-8/h13H,4-7,11-12H2,1-3H3

InChIKey

CECAZZROEIAEGC-UHFFFAOYSA-N

Compound name

1-amino-3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 55
Patents: 186.17322 Da
Monoisotopic Mass: 0.3
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]+	187.18050	140.1
[M+Na]+	209.16244	147.9
[M+NH4]+	204.20704	151.9
[M+K]+	225.13638	138.1
[M-H]-	185.16594	142.0
[M+Na-2H]-	207.14789	147.9
[M]+	186.17267	141.9
[M]-	186.17377	141.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe