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

16
Patents

194.0943 Da
Monoisotopic Mass

1.5
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

No literature data available for this compound.

Patent stripe

patents stripe