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

867
Patents

336.1209 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.128176 175.6
[M+Na]+ 359.110118 179.6
[M-H]- 335.113624 177.1
[M+NH4]+ 354.154723 187.9
[M+K]+ 375.084058 179.3
[M+H-H2O]+ 319.118160 168.6
[M+HCOO]- 381.119101 193.4
[M+CH3COO]- 395.134751 207.6
[M+Na-2H]- 357.095566 172.9
[M]+ 336.12035142 180.9
[M]- 336.12144858 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