CID 15472573

Methyl 3-(4-hydroxy-3-methylphenyl)propanoate

Structural Information

Molecular Formula

C₁₁H₁₄O₃

SMILES

CC1=C(C=CC(=C1)CCC(=O)OC)O

InChI

InChI=1S/C11H14O3/c1-8-7-9(3-5-10(8)12)4-6-11(13)14-2/h3,5,7,12H,4,6H2,1-2H3

InChIKey

DKFGHMUHASBXES-UHFFFAOYSA-N

Compound name

methyl 3-(4-hydroxy-3-methylphenyl)propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 194.0943 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]+	195.101576	141.1
[M+Na]+	217.083518	149.1
[M-H]-	193.087024	143.8
[M+NH4]+	212.128123	160.4
[M+K]+	233.057458	147.4
[M+H-H2O]+	177.091560	135.6
[M+HCOO]-	239.092501	163.4
[M+CH3COO]-	253.108151	182.4
[M+Na-2H]-	215.068966	145.2
[M]+	194.09375142	143.6
[M]-	194.09484858	143.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe