CID 118360

Cyclohex-1-ene-1-methylamine

Structural Information

Molecular Formula

C₇H₁₃N

SMILES

C1CCC(=CC1)CN

InChI

InChI=1S/C7H13N/c8-6-7-4-2-1-3-5-7/h4H,1-3,5-6,8H2

InChIKey

AYQJCDBGGILQIZ-UHFFFAOYSA-N

Compound name

cyclohexen-1-ylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 118
Patents: 111.1048 Da
Monoisotopic Mass: 0.9
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]+	112.11208	122.8
[M+Na]+	134.09402	128.1
[M-H]-	110.09752	125.4
[M+NH4]+	129.13862	144.9
[M+K]+	150.06796	126.8
[M+H-H2O]+	94.102060	117.4
[M+HCOO]-	156.10300	145.5
[M+CH3COO]-	170.11865	170.1
[M+Na-2H]-	132.07947	129.4
[M]+	111.10425	117.3
[M]-	111.10535	117.3

Literature stripe

literature stripe

Patent stripe

patents stripe