CID 103235

1,4-cyclohexanedimethanamine, 1-ethyl-

Structural Information

Molecular Formula

C₁₀H₂₂N₂

SMILES

CCC1(CCC(CC1)CN)CN

InChI

InChI=1S/C10H22N2/c1-2-10(8-12)5-3-9(7-11)4-6-10/h9H,2-8,11-12H2,1H3

InChIKey

RQZPVTJKRKQPGB-UHFFFAOYSA-N

Compound name

[4-(aminomethyl)-4-ethylcyclohexyl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 170.1783 Da
Monoisotopic Mass: 0.8
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]+	171.18558	140.9
[M+Na]+	193.16752	149.3
[M+NH4]+	188.21212	150.9
[M+K]+	209.14146	141.3
[M-H]-	169.17102	143.9
[M+Na-2H]-	191.15297	146.5
[M]+	170.17775	142.8
[M]-	170.17885	142.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe