CID 3015353

Sodium 1,4-diisopentyl sulphonatosuccinate

Structural Information

Molecular Formula
C14H26O7S
SMILES
CC(C)CCOC(=O)CC(C(=O)OCCC(C)C)S(=O)(=O)O
InChI
InChI=1S/C14H26O7S/c1-10(2)5-7-20-13(15)9-12(22(17,18)19)14(16)21-8-6-11(3)4/h10-12H,5-9H2,1-4H3,(H,17,18,19)
InChIKey
QORIJDZSLIMING-UHFFFAOYSA-N
Compound name
1,4-bis(3-methylbutoxy)-1,4-dioxobutane-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

338.13992 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.14720 177.5
[M+Na]+ 361.12914 180.8
[M+NH4]+ 356.17374 195.5
[M+K]+ 377.10308 179.3
[M-H]- 337.13264 170.9
[M+Na-2H]- 359.11459 174.1
[M]+ 338.13937 175.8
[M]- 338.14047 175.8
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