CID 93152

31480-93-0

Structural Information

Molecular Formula

C₁₀H₁₀O₃

SMILES

CC(=C)C(=O)OC1=CC=C(C=C1)O

InChI

InChI=1S/C10H10O3/c1-7(2)10(12)13-9-5-3-8(11)4-6-9/h3-6,11H,1H2,2H3

InChIKey

PJMXUSNWBKGQEZ-UHFFFAOYSA-N

Compound name

(4-hydroxyphenyl) 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 5075
Patents: 178.06299 Da
Monoisotopic Mass: 2.3
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	135.8
[M+Na]+	201.052208	143.3
[M-H]-	177.055714	138.4
[M+NH4]+	196.096813	155.2
[M+K]+	217.026148	141.7
[M+H-H2O]+	161.060250	130.4
[M+HCOO]-	223.061191	157.6
[M+CH3COO]-	237.076841	178.2
[M+Na-2H]-	199.037656	139.9
[M]+	178.06244142	136.2
[M]-	178.06353858	136.2

Literature stripe

literature stripe

Patent stripe

patents stripe