CID 44149388

99148-58-0

Structural Information

Molecular Formula
C14H16O6
SMILES
CC(=C)C(=O)OCC(COC(=O)C1=CC=C(C=C1)O)O
InChI
InChI=1S/C14H16O6/c1-9(2)13(17)19-7-12(16)8-20-14(18)10-3-5-11(15)6-4-10/h3-6,12,15-16H,1,7-8H2,2H3
InChIKey
OEHZHOYULAGWFG-UHFFFAOYSA-N
Compound name
[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 4-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
Patents

280.0947 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.10198 162.5
[M+Na]+ 303.08392 170.5
[M+NH4]+ 298.12852 166.3
[M+K]+ 319.05786 168.4
[M-H]- 279.08742 159.9
[M+Na-2H]- 301.06937 164.0
[M]+ 280.09415 162.3
[M]- 280.09525 162.3
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