CID 6455098

Disodium isodecyl sulfosuccinate

Structural Information

Molecular Formula
C14H26O7S
SMILES
CC(C)CCCCCCCOC(=O)C(CC(=O)O)S(=O)(=O)O
InChI
InChI=1S/C14H26O7S/c1-11(2)8-6-4-3-5-7-9-21-14(17)12(10-13(15)16)22(18,19)20/h11-12H,3-10H2,1-2H3,(H,15,16)(H,18,19,20)
InChIKey
PWTDXSJCVGCUJD-UHFFFAOYSA-N
Compound name
4-(8-methylnonoxy)-4-oxo-3-sulfobutanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

976
Patents

338.13992 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.14720 178.4
[M+Na]+ 361.12914 181.4
[M+NH4]+ 356.17374 180.0
[M+K]+ 377.10308 179.4
[M-H]- 337.13264 171.4
[M+Na-2H]- 359.11459 174.6
[M]+ 338.13937 176.5
[M]- 338.14047 176.5
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