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

18
Patents

478.1111 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.118376 202.4
[M+Na]+ 501.100318 212.4
[M-H]- 477.103824 211.5
[M+NH4]+ 496.144923 218.2
[M+K]+ 517.074258 205.4
[M+H-H2O]+ 461.108360 208.1
[M+HCOO]- 523.109301 207.1
[M+CH3COO]- 537.124951 233.5
[M+Na-2H]- 499.085766 196.5
[M]+ 478.11055142 203.0
[M]- 478.11164858 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