CID 1512675

Methyl 3-(3-hydroxyphenyl)propanoate

Structural Information

Molecular Formula
C10H12O3
SMILES
COC(=O)CCC1=CC(=CC=C1)O
InChI
InChI=1S/C10H12O3/c1-13-10(12)6-5-8-3-2-4-9(11)7-8/h2-4,7,11H,5-6H2,1H3
InChIKey
IIFOKIAATXLZIB-UHFFFAOYSA-N
Compound name
methyl 3-(3-hydroxyphenyl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

212
Patents

180.07864 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe