CID 14320626

128011-03-0

Structural Information

Molecular Formula

C₈H₈O₂

SMILES

C1C2CC1(C2)C#CC(=O)O

InChI

InChI=1S/C8H8O2/c9-7(10)1-2-8-3-6(4-8)5-8/h6H,3-5H2,(H,9,10)

InChIKey

RBGCLUJZBUKQQG-UHFFFAOYSA-N

Compound name

3-(1-bicyclo[1.1.1]pentanyl)prop-2-ynoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 136.05243 Da
Monoisotopic Mass: 1.9
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]+	137.05971	144.9
[M+Na]+	159.04165	143.0
[M+NH4]+	154.08625	141.9
[M+K]+	175.01559	139.8
[M-H]-	135.04515	132.8
[M+Na-2H]-	157.02710	139.1
[M]+	136.05188	138.2
[M]-	136.05298	138.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.