CID 10296

2-phenylpropionic acid

Structural Information

Molecular Formula

C₉H₁₀O₂

SMILES

CC(C1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C9H10O2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-7H,1H3,(H,10,11)

InChIKey

YPGCWEMNNLXISK-UHFFFAOYSA-N

Compound name

2-phenylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 71
References: 40764
Patents: 150.06808 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]+	151.07536	130.1
[M+Na]+	173.05730	136.9
[M-H]-	149.06080	132.5
[M+NH4]+	168.10190	150.4
[M+K]+	189.03124	135.5
[M+H-H2O]+	133.06534	124.9
[M+HCOO]-	195.06628	151.9
[M+CH3COO]-	209.08193	173.5
[M+Na-2H]-	171.04275	135.4
[M]+	150.06753	129.1
[M]-	150.06863	129.1

Literature stripe

literature stripe

Patent stripe

patents stripe