CID 4519631

2-o-(2-hydroxypropyl) 1-o-[2-(2-methylprop-2-enoyloxy)ethyl] benzene-1,2-dicarboxylate

Structural Information

Molecular Formula
C17H20O7
SMILES
CC(COC(=O)C1=CC=CC=C1C(=O)OCCOC(=O)C(=C)C)O
InChI
InChI=1S/C17H20O7/c1-11(2)15(19)22-8-9-23-16(20)13-6-4-5-7-14(13)17(21)24-10-12(3)18/h4-7,12,18H,1,8-10H2,2-3H3
InChIKey
GLQNPYLKSCFVPO-UHFFFAOYSA-N
Compound name
2-O-(2-hydroxypropyl) 1-O-[2-(2-methylprop-2-enoyloxy)ethyl] benzene-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

969
Patents

336.1209 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.12818 175.6
[M+Na]+ 359.11012 179.6
[M-H]- 335.11362 177.1
[M+NH4]+ 354.15472 187.9
[M+K]+ 375.08406 179.3
[M+H-H2O]+ 319.11816 168.6
[M+HCOO]- 381.11910 193.4
[M+CH3COO]- 395.13475 207.6
[M+Na-2H]- 357.09557 172.9
[M]+ 336.12035 180.9
[M]- 336.12145 180.9
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