CID 129920013

1314722-98-9

Structural Information

Molecular Formula

C₁₂H₁₀O₂

SMILES

C#CC1=CC(=CC=C1)C2(CC2)C(=O)O

InChI

InChI=1S/C12H10O2/c1-2-9-4-3-5-10(8-9)12(6-7-12)11(13)14/h1,3-5,8H,6-7H2,(H,13,14)

InChIKey

CRPOCCTWTFZKAQ-UHFFFAOYSA-N

Compound name

1-(3-ethynylphenyl)cyclopropane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 186.06808 Da
Monoisotopic Mass: 2.0
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]+	187.075356	139.1
[M+Na]+	209.057298	155.4
[M-H]-	185.060804	146.0
[M+NH4]+	204.101903	155.3
[M+K]+	225.031238	147.5
[M+H-H2O]+	169.065340	130.9
[M+HCOO]-	231.066281	157.5
[M+CH3COO]-	245.081931	190.6
[M+Na-2H]-	207.042746	145.7
[M]+	186.06753142	137.6
[M]-	186.06862858	137.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.