CID 69723271

Bicyclo[3.2.0]heptan-6-amine hydrochloride

Structural Information

Molecular Formula

C₇H₁₃N

SMILES

C1CC2CC(C2C1)N

InChI

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

InChIKey

DFALMWNHZFXPSI-UHFFFAOYSA-N

Compound name

bicyclo[3.2.0]heptan-6-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 111.1048 Da
Monoisotopic Mass: 1.2
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	119.7
[M+Na]+	134.094018	125.2
[M-H]-	110.097524	123.6
[M+NH4]+	129.138623	138.3
[M+K]+	150.067958	126.7
[M+H-H2O]+	94.102060	110.3
[M+HCOO]-	156.103001	141.1
[M+CH3COO]-	170.118651	174.7
[M+Na-2H]-	132.079466	124.7
[M]+	111.10425142	123.9
[M]-	111.10534858	123.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe