CID 3451971

1,4-benzenedicarboxylic acid, bis[4-(ethenyloxy)butyl] ester

Structural Information

Molecular Formula
C20H26O6
SMILES
C=COCCCCOC(=O)C1=CC=C(C=C1)C(=O)OCCCCOC=C
InChI
InChI=1S/C20H26O6/c1-3-23-13-5-7-15-25-19(21)17-9-11-18(12-10-17)20(22)26-16-8-6-14-24-4-2/h3-4,9-12H,1-2,5-8,13-16H2
InChIKey
HMNFSPVCKZFHGZ-UHFFFAOYSA-N
Compound name
bis(4-ethenoxybutyl) benzene-1,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

657
Patents

362.17294 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.18022 187.0
[M+Na]+ 385.16216 190.9
[M-H]- 361.16566 189.0
[M+NH4]+ 380.20676 199.2
[M+K]+ 401.13610 188.3
[M+H-H2O]+ 345.17020 178.7
[M+HCOO]- 407.17114 208.0
[M+CH3COO]- 421.18679 214.6
[M+Na-2H]- 383.14761 186.5
[M]+ 362.17239 195.7
[M]- 362.17349 195.7
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