CID 165647806

2751610-93-0

Structural Information

Molecular Formula

C₈H₁₂O₂

SMILES

C1C2CC1(C2)CCC(=O)O

InChI

InChI=1S/C8H12O2/c9-7(10)1-2-8-3-6(4-8)5-8/h6H,1-5H2,(H,9,10)

InChIKey

YMAOWXDXGCVBPU-UHFFFAOYSA-N

Compound name

3-(1-bicyclo[1.1.1]pentanyl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 140.08372 Da
Monoisotopic Mass: 1.6
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	143.7
[M+Na]+	163.07294	140.4
[M+NH4]+	158.11754	142.5
[M+K]+	179.04688	139.7
[M-H]-	139.07644	136.1
[M+Na-2H]-	161.05839	138.9
[M]+	140.08317	138.3
[M]-	140.08427	138.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.