CID 146050306

2413903-67-8

Structural Information

Molecular Formula

C₇H₁₃N

SMILES

C1CC2C1CC2CN

InChI

InChI=1S/C7H13N/c8-4-6-3-5-1-2-7(5)6/h5-7H,1-4,8H2

InChIKey

GKALFHIRGUXFCE-UHFFFAOYSA-N

Compound name

2-bicyclo[2.2.0]hexanylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 111.1048 Da
Monoisotopic Mass: 1.0
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	117.3
[M+Na]+	134.094018	121.8
[M-H]-	110.097524	121.3
[M+NH4]+	129.138623	127.3
[M+K]+	150.067958	126.5
[M+H-H2O]+	94.102060	103.7
[M+HCOO]-	156.103001	136.4
[M+CH3COO]-	170.118651	186.5
[M+Na-2H]-	132.079466	123.4
[M]+	111.10425142	131.1
[M]-	111.10534858	131.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe