CID 18361468

(3-methylcyclohexyl)methanamine

Structural Information

Molecular Formula

C₈H₁₇N

SMILES

CC1CCCC(C1)CN

InChI

InChI=1S/C8H17N/c1-7-3-2-4-8(5-7)6-9/h7-8H,2-6,9H2,1H3

InChIKey

AVBFYDXLBKBKNT-UHFFFAOYSA-N

Compound name

(3-methylcyclohexyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 180
Patents: 127.1361 Da
Monoisotopic Mass: 1.9
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]+	128.14338	128.6
[M+Na]+	150.12532	138.9
[M+NH4]+	145.16992	138.2
[M+K]+	166.09926	132.4
[M-H]-	126.12882	131.7
[M+Na-2H]-	148.11077	134.0
[M]+	127.13555	130.8
[M]-	127.13665	130.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe