CID 239086

Methyl 3-hydroxy-2-phenylpropanoate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

132
Patents

180.07864 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.085916 138.2
[M+Na]+ 203.067858 144.5
[M-H]- 179.071364 140.4
[M+NH4]+ 198.112463 157.3
[M+K]+ 219.041798 143.4
[M+H-H2O]+ 163.075900 132.5
[M+HCOO]- 225.076841 159.9
[M+CH3COO]- 239.092491 177.9
[M+Na-2H]- 201.053306 142.9
[M]+ 180.07809142 138.9
[M]- 180.07918858 138.9
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