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
3
Annotation Hits

0
References

167
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 142.9
[M+Na]+ 217.08352 148.8
[M-H]- 193.08702 144.9
[M+NH4]+ 212.12812 161.4
[M+K]+ 233.05746 147.4
[M+H-H2O]+ 177.09156 137.0
[M+HCOO]- 239.09250 164.2
[M+CH3COO]- 253.10815 180.9
[M+Na-2H]- 215.06897 147.1
[M]+ 194.09375 143.9
[M]- 194.09485 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