CID 13512621

2555-10-4

Structural Information

Molecular Formula

C₇H₁₃N

SMILES

C1CC(CC=C1)CN

InChI

InChI=1S/C7H13N/c8-6-7-4-2-1-3-5-7/h1-2,7H,3-6,8H2

InChIKey

DNTZUCRLOISRPR-UHFFFAOYSA-N

Compound name

cyclohex-3-en-1-ylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 103
Patents: 111.1048 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]+	112.112076	122.8
[M+Na]+	134.094018	128.1
[M-H]-	110.097524	125.4
[M+NH4]+	129.138623	144.9
[M+K]+	150.067958	126.8
[M+H-H2O]+	94.102060	117.4
[M+HCOO]-	156.103001	145.5
[M+CH3COO]-	170.118651	170.1
[M+Na-2H]-	132.079466	129.4
[M]+	111.10425142	117.3
[M]-	111.10534858	117.3

Literature stripe

literature stripe

Patent stripe

patents stripe