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
1
Annotation Hits

0
References

15136
Patents

222.0892 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.09648 149.1
[M+Na]+ 245.07842 154.7
[M-H]- 221.08192 150.8
[M+NH4]+ 240.12302 166.3
[M+K]+ 261.05236 153.0
[M+H-H2O]+ 205.08646 142.7
[M+HCOO]- 267.08740 170.5
[M+CH3COO]- 281.10305 185.1
[M+Na-2H]- 243.06387 152.7
[M]+ 222.08865 151.2
[M]- 222.08975 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.