CID 3018319

2-hydroxyethyl 3-phenylpropionate

Structural Information

Molecular Formula
C11H14O3
SMILES
C1=CC=C(C=C1)CCC(=O)OCCO
InChI
InChI=1S/C11H14O3/c12-8-9-14-11(13)7-6-10-4-2-1-3-5-10/h1-5,12H,6-9H2
InChIKey
YVNBSYGHQJLAIN-UHFFFAOYSA-N
Compound name
2-hydroxyethyl 3-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

194.0943 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.101576 142.7
[M+Na]+ 217.083518 148.8
[M-H]- 193.087024 144.5
[M+NH4]+ 212.128123 161.2
[M+K]+ 233.057458 146.9
[M+H-H2O]+ 177.091560 136.6
[M+HCOO]- 239.092501 165.0
[M+CH3COO]- 253.108151 180.1
[M+Na-2H]- 215.068966 148.0
[M]+ 194.09375142 144.3
[M]- 194.09484858 144.3
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