CID 209445

19872-09-4

Structural Information

Molecular Formula
C7H17NO6S4
SMILES
C(CS(=O)(=O)O)N(CCS(=O)(=O)O)CC(CS)S
InChI
InChI=1S/C7H17NO6S4/c9-17(10,11)3-1-8(5-7(16)6-15)2-4-18(12,13)14/h7,15-16H,1-6H2,(H,9,10,11)(H,12,13,14)
InChIKey
UITWYEGRFHKCFZ-UHFFFAOYSA-N
Compound name
2-[2,3-bis(sulfanyl)propyl-(2-sulfoethyl)amino]ethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.99387 Da
Monoisotopic Mass

-3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.00115 176.2
[M+Na]+ 361.98309 178.3
[M-H]- 337.98659 170.8
[M+NH4]+ 357.02769 186.3
[M+K]+ 377.95703 170.2
[M+H-H2O]+ 321.99113 168.7
[M+HCOO]- 383.99207 171.8
[M+CH3COO]- 398.00772 203.5
[M+Na-2H]- 359.96854 177.4
[M]+ 338.99332 176.6
[M]- 338.99442 176.6
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.