CID 273628

Bicyclo[3.1.0]hexane-3-carboxylic acid

Structural Information

Molecular Formula

C₇H₁₀O₂

SMILES

C1C2C1CC(C2)C(=O)O

InChI

InChI=1S/C7H10O2/c8-7(9)6-2-4-1-5(4)3-6/h4-6H,1-3H2,(H,8,9)

InChIKey

IEEUSWYDXDXBNK-UHFFFAOYSA-N

Compound name

bicyclo[3.1.0]hexane-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 165
Patents: 126.06808 Da
Monoisotopic Mass: 1.1
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]+	127.07536	125.9
[M+Na]+	149.05730	136.7
[M+NH4]+	144.10190	135.3
[M+K]+	165.03124	135.1
[M-H]-	125.06080	133.1
[M+Na-2H]-	147.04275	131.3
[M]+	126.06753	130.3
[M]-	126.06863	130.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe