CID 2832489

Einecs 280-452-5

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
2
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 202.4
[M+Na]+ 501.10032 212.4
[M-H]- 477.10382 211.5
[M+NH4]+ 496.14492 218.2
[M+K]+ 517.07426 205.4
[M+H-H2O]+ 461.10836 208.1
[M+HCOO]- 523.10930 207.1
[M+CH3COO]- 537.12495 233.5
[M+Na-2H]- 499.08577 196.5
[M]+ 478.11055 203.0
[M]- 478.11165 203.0
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