CID 70323

5685-38-1

Structural Information

Molecular Formula

C₁₀H₁₀O₂

SMILES

C1C(C1C(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C10H10O2/c11-10(12)9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6H2,(H,11,12)

InChIKey

AHDDRJBFJBDEPW-UHFFFAOYSA-N

Compound name

2-phenylcyclopropane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 14
References: 1647
Patents: 162.06808 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]+	163.075356	130.1
[M+Na]+	185.057298	139.6
[M-H]-	161.060804	136.8
[M+NH4]+	180.101903	145.5
[M+K]+	201.031238	136.5
[M+H-H2O]+	145.065340	124.2
[M+HCOO]-	207.066281	153.2
[M+CH3COO]-	221.081931	178.9
[M+Na-2H]-	183.042746	136.2
[M]+	162.06753142	131.7
[M]-	162.06862858	131.7

Literature stripe

literature stripe

Patent stripe

patents stripe