CID 3021578

1-amino-1-methylcyclohexane

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: 6670
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	124.7
[M+Na]+	136.10967	129.9
[M-H]-	112.11317	127.4
[M+NH4]+	131.15427	148.7
[M+K]+	152.08361	129.1
[M+H-H2O]+	96.117710	120.2
[M+HCOO]-	158.11865	146.0
[M+CH3COO]-	172.13430	170.0
[M+Na-2H]-	134.09512	131.3
[M]+	113.11990	118.1
[M]-	113.12100	118.1

Literature stripe

literature stripe

Patent stripe

patents stripe