CID 4443516

2-hydroxy-3-phenoxypropyl prop-2-enoate

Structural Information

Molecular Formula
C12H14O4
SMILES
C=CC(=O)OCC(COC1=CC=CC=C1)O
InChI
InChI=1S/C12H14O4/c1-2-12(14)16-9-10(13)8-15-11-6-4-3-5-7-11/h2-7,10,13H,1,8-9H2
InChIKey
HHQAGBQXOWLTLL-UHFFFAOYSA-N
Compound name
(2-hydroxy-3-phenoxypropyl) prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

15221
Patents

222.0892 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.096476 149.1
[M+Na]+ 245.078418 154.7
[M-H]- 221.081924 150.8
[M+NH4]+ 240.123023 166.3
[M+K]+ 261.052358 153.0
[M+H-H2O]+ 205.086460 142.7
[M+HCOO]- 267.087401 170.5
[M+CH3COO]- 281.103051 185.1
[M+Na-2H]- 243.063866 152.7
[M]+ 222.08865142 151.2
[M]- 222.08974858 151.2
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