CID 80206

6120-95-2

Structural Information

Molecular Formula

C₁₀H₁₀O₂

SMILES

C1CC1(C2=CC=CC=C2)C(=O)O

InChI

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

InChIKey

IWWCCNVRNHTGLV-UHFFFAOYSA-N

Compound name

1-phenylcyclopropane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 1899
Patents: 162.06808 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]+	163.07536	132.3
[M+Na]+	185.05730	141.5
[M-H]-	161.06080	139.0
[M+NH4]+	180.10190	149.2
[M+K]+	201.03124	139.5
[M+H-H2O]+	145.06534	127.1
[M+HCOO]-	207.06628	155.0
[M+CH3COO]-	221.08193	177.4
[M+Na-2H]-	183.04275	139.9
[M]+	162.06753	133.9
[M]-	162.06863	133.9

Literature stripe

literature stripe

Patent stripe

patents stripe