CID 7660269

Bicyclo[4.1.0]heptan-7-amine

Structural Information

Molecular Formula

C₇H₁₃N

SMILES

C1CC[C@H]2[C@@H](C1)C2N

InChI

InChI=1S/C7H13N/c8-7-5-3-1-2-4-6(5)7/h5-7H,1-4,8H2/t5-,6+,7?

InChIKey

DYJJOXPTDCNLEF-MEKDEQNOSA-N

Compound name

(1S,6R)-bicyclo[4.1.0]heptan-7-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
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	121.2
[M+Na]+	134.094018	129.7
[M-H]-	110.097524	126.0
[M+NH4]+	129.138623	139.9
[M+K]+	150.067958	127.2
[M+H-H2O]+	94.102060	115.9
[M+HCOO]-	156.103001	142.6
[M+CH3COO]-	170.118651	175.3
[M+Na-2H]-	132.079466	128.4
[M]+	111.10425142	118.8
[M]-	111.10534858	118.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe