CID 2832489

83418-60-4

Structural Information

Molecular Formula
C22H22O12
SMILES
CC(=C)C(=O)OCCOC(=O)C1=CC(=C(C=C1C(=O)O)C(=O)OCCOC(=O)C(=C)C)C(=O)O
InChI
InChI=1S/C22H22O12/c1-11(2)19(27)31-5-7-33-21(29)15-9-14(18(25)26)16(10-13(15)17(23)24)22(30)34-8-6-32-20(28)12(3)4/h9-10H,1,3,5-8H2,2,4H3,(H,23,24)(H,25,26)
InChIKey
WKBYWKLXGWNHOB-UHFFFAOYSA-N
Compound name
2,5-bis[2-(2-methylprop-2-enoyloxy)ethoxycarbonyl]terephthalic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

478.1111 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.11838 213.3
[M+Na]+ 501.10032 214.4
[M+NH4]+ 496.14492 219.4
[M+K]+ 517.07426 213.7
[M-H]- 477.10382 217.8
[M+Na-2H]- 499.08577 220.7
[M]+ 478.11055 215.0
[M]- 478.11165 215.0
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