CID 79706

Methyl 3-(4-hydroxyphenyl)propionate

Structural Information

Molecular Formula

C₁₀H₁₂O₃

SMILES

COC(=O)CCC1=CC=C(C=C1)O

InChI

InChI=1S/C10H12O3/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-3,5-6,11H,4,7H2,1H3

InChIKey

XRAMJHXWXCMGJM-UHFFFAOYSA-N

Compound name

methyl 3-(4-hydroxyphenyl)propanoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 18
References: 1515
Patents: 180.07864 Da
Monoisotopic Mass: 2.0
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]+	181.08592	137.9
[M+Na]+	203.06786	149.8
[M+NH4]+	198.11246	145.5
[M+K]+	219.04180	144.3
[M-H]-	179.07136	138.8
[M+Na-2H]-	201.05331	143.8
[M]+	180.07809	139.7
[M]-	180.07919	139.7

Literature stripe

literature stripe

Patent stripe

patents stripe