CID 5020077

18826-56-7

Structural Information

Molecular Formula

C₁₁H₁₀O₂

SMILES

CC1=C(C1C(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C11H10O2/c1-7-9(10(7)11(12)13)8-5-3-2-4-6-8/h2-6,10H,1H3,(H,12,13)

InChIKey

UDSNAKLSPHPDSX-UHFFFAOYSA-N

Compound name

2-methyl-3-phenylcycloprop-2-ene-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 174.06808 Da
Monoisotopic Mass: 1.4
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]+	175.07536	132.2
[M+Na]+	197.05730	143.0
[M-H]-	173.06080	139.4
[M+NH4]+	192.10190	147.4
[M+K]+	213.03124	139.5
[M+H-H2O]+	157.06534	126.3
[M+HCOO]-	219.06628	156.3
[M+CH3COO]-	233.08193	182.6
[M+Na-2H]-	195.04275	138.1
[M]+	174.06753	135.9
[M]-	174.06863	135.9

Literature stripe

literature stripe

Patent stripe

patents stripe