CID 76224384

Bicyclo[4.1.0]heptan-1-amine hydrochloride

Structural Information

Molecular Formula

C₇H₁₃N

SMILES

C1CCC2(CC2C1)N

InChI

InChI=1S/C7H13N/c8-7-4-2-1-3-6(7)5-7/h6H,1-5,8H2

InChIKey

UDJSTQSIBVOCMJ-UHFFFAOYSA-N

Compound name

bicyclo[4.1.0]heptan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
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]+	112.112076	123.0
[M+Na]+	134.094018	131.3
[M-H]-	110.097524	127.8
[M+NH4]+	129.138623	143.2
[M+K]+	150.067958	129.8
[M+H-H2O]+	94.102060	118.4
[M+HCOO]-	156.103001	144.0
[M+CH3COO]-	170.118651	173.9
[M+Na-2H]-	132.079466	131.6
[M]+	111.10425142	120.6
[M]-	111.10534858	120.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe