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

11
Patents

194.0943 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.10158 141.1
[M+Na]+ 217.08352 149.1
[M-H]- 193.08702 143.8
[M+NH4]+ 212.12812 160.4
[M+K]+ 233.05746 147.4
[M+H-H2O]+ 177.09156 135.6
[M+HCOO]- 239.09250 163.4
[M+CH3COO]- 253.10815 182.4
[M+Na-2H]- 215.06897 145.2
[M]+ 194.09375 143.6
[M]- 194.09485 143.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe