CID 6455364

Disodium (tetrapropenyl)succinate

Structural Information

Molecular Formula
C16H22O4
SMILES
C/C=C/C(C(C(=O)O)(/C=C/C)/C=C/C)(C(=O)O)/C=C/C
InChI
InChI=1S/C16H22O4/c1-5-9-15(10-6-2,13(17)18)16(11-7-3,12-8-4)14(19)20/h5-12H,1-4H3,(H,17,18)(H,19,20)/b9-5+,10-6+,11-7+,12-8+
InChIKey
GGQRKYMKYMRZTF-HFBXSBKTSA-N
Compound name
2,2,3,3-tetrakis[(E)-prop-1-enyl]butanedioic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

3330
Patents

278.1518 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.15908 166.7
[M+Na]+ 301.14102 171.4
[M-H]- 277.14452 163.4
[M+NH4]+ 296.18562 181.5
[M+K]+ 317.11496 167.0
[M+H-H2O]+ 261.14906 162.7
[M+HCOO]- 323.15000 181.5
[M+CH3COO]- 337.16565 194.3
[M+Na-2H]- 299.12647 167.4
[M]+ 278.15125 167.1
[M]- 278.15235 167.1
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

No patent data available for this compound.