CID 55289102

Bicyclo[3.1.0]hexan-3-amine hydrochloride

Structural Information

Molecular Formula

C₆H₁₁N

SMILES

C1[C@H]2[C@@H]1CC(C2)N

InChI

InChI=1S/C6H11N/c7-6-2-4-1-5(4)3-6/h4-6H,1-3,7H2/t4-,5+,6?

InChIKey

HAEHSFVDBQNHOX-XEAPYIEGSA-N

Compound name

(1S,5R)-bicyclo[3.1.0]hexan-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 78
Patents: 97.08915 Da
Monoisotopic Mass: 0.7
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]+	98.096426	116.4
[M+Na]+	120.078368	126.1
[M-H]-	96.081874	121.5
[M+NH4]+	115.122973	137.2
[M+K]+	136.052308	123.5
[M+H-H2O]+	80.086410	111.5
[M+HCOO]-	142.087351	139.8
[M+CH3COO]-	156.103001	172.3
[M+Na-2H]-	118.063816	122.8
[M]+	97.08860142	115.6
[M]-	97.08969858	115.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe