CID 3021578

1-methylcyclohexanamine

Structural Information

Molecular Formula

C₇H₁₅N

SMILES

CC1(CCCCC1)N

InChI

InChI=1S/C7H15N/c1-7(8)5-3-2-4-6-7/h2-6,8H2,1H3

InChIKey

YDBHSDRXUCPTQQ-UHFFFAOYSA-N

Compound name

1-methylcyclohexan-1-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 5128
Patents: 113.12045 Da
Monoisotopic Mass: 1.1
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]+	114.12773	124.9
[M+Na]+	136.10967	135.2
[M+NH4]+	131.15427	136.2
[M+K]+	152.08361	127.0
[M-H]-	112.11317	128.0
[M+Na-2H]-	134.09512	132.3
[M]+	113.11990	127.3
[M]-	113.12100	127.3

Literature stripe

literature stripe

Patent stripe

patents stripe