CID 66953161

Methyl 2-hydroxy-3-phenylprop-2-enoate

Structural Information

Molecular Formula

C₁₀H₁₀O₃

SMILES

COC(=O)C(=CC1=CC=CC=C1)O

InChI

InChI=1S/C10H10O3/c1-13-10(12)9(11)7-8-5-3-2-4-6-8/h2-7,11H,1H3

InChIKey

KIHSYCSFCHJUQR-UHFFFAOYSA-N

Compound name

methyl 2-hydroxy-3-phenylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 55
Patents: 178.06299 Da
Monoisotopic Mass: 2.1
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]+	179.070266	137.0
[M+Na]+	201.052208	143.7
[M-H]-	177.055714	139.3
[M+NH4]+	196.096813	156.2
[M+K]+	217.026148	142.0
[M+H-H2O]+	161.060250	131.4
[M+HCOO]-	223.061191	158.9
[M+CH3COO]-	237.076841	176.4
[M+Na-2H]-	199.037656	141.7
[M]+	178.06244142	136.9
[M]-	178.06353858	136.9

Literature stripe

literature stripe

Patent stripe

patents stripe