CID 6429708

Ethyl 2-hydroxy-3-phenylpropanoate

Structural Information

Molecular Formula
C11H14O3
SMILES
CCOC(=O)C(CC1=CC=CC=C1)O
InChI
InChI=1S/C11H14O3/c1-2-14-11(13)10(12)8-9-6-4-3-5-7-9/h3-7,10,12H,2,8H2,1H3
InChIKey
HBOGUIFRIAXYNB-UHFFFAOYSA-N
Compound name
ethyl 2-hydroxy-3-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

162
Patents

194.0943 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.101576 142.9
[M+Na]+ 217.083518 148.8
[M-H]- 193.087024 144.9
[M+NH4]+ 212.128123 161.4
[M+K]+ 233.057458 147.4
[M+H-H2O]+ 177.091560 137.0
[M+HCOO]- 239.092501 164.2
[M+CH3COO]- 253.108151 180.9
[M+Na-2H]- 215.068966 147.1
[M]+ 194.09375142 143.9
[M]- 194.09484858 143.9
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