CID 82397

2-phenylethyl 3-hydroxypropanoate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

194.0943 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.10158 142.7
[M+Na]+ 217.08352 148.8
[M-H]- 193.08702 144.5
[M+NH4]+ 212.12812 161.2
[M+K]+ 233.05746 146.9
[M+H-H2O]+ 177.09156 136.6
[M+HCOO]- 239.09250 165.0
[M+CH3COO]- 253.10815 180.1
[M+Na-2H]- 215.06897 148.0
[M]+ 194.09375 144.3
[M]- 194.09485 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

No literature data available for this compound.

Patent stripe

patents stripe