CID 91201

Disodium 4-decyl 2-sulphonatosuccinate

Structural Information

Molecular Formula
C14H26O7S
SMILES
CCCCCCCCCCOC(=O)CC(C(=O)O)S(=O)(=O)O
InChI
InChI=1S/C14H26O7S/c1-2-3-4-5-6-7-8-9-10-21-13(15)11-12(14(16)17)22(18,19)20/h12H,2-11H2,1H3,(H,16,17)(H,18,19,20)
InChIKey
PGBDURBYDQGWSN-UHFFFAOYSA-N
Compound name
4-decoxy-4-oxo-2-sulfobutanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

338.13992 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.14720 178.2
[M+Na]+ 361.12914 180.7
[M-H]- 337.13264 174.1
[M+NH4]+ 356.17374 190.1
[M+K]+ 377.10308 178.6
[M+H-H2O]+ 321.13718 172.1
[M+HCOO]- 383.13812 188.7
[M+CH3COO]- 397.15377 202.7
[M+Na-2H]- 359.11459 175.5
[M]+ 338.13937 185.4
[M]- 338.14047 185.4
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.