CID 84648507

1780872-44-7

Structural Information

Molecular Formula

C₈H₁₂O₂

SMILES

C1C(CC2C1C2)CC(=O)O

InChI

InChI=1S/C8H12O2/c9-8(10)3-5-1-6-4-7(6)2-5/h5-7H,1-4H2,(H,9,10)

InChIKey

VFLUKLONYOJQIH-UHFFFAOYSA-N

Compound name

2-(3-bicyclo[3.1.0]hexanyl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 140.08372 Da
Monoisotopic Mass: 1.7
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]+	141.09100	129.7
[M+Na]+	163.07294	140.3
[M+NH4]+	158.11754	138.9
[M+K]+	179.04688	138.5
[M-H]-	139.07644	136.9
[M+Na-2H]-	161.05839	134.9
[M]+	140.08317	134.1
[M]-	140.08427	134.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.