CID 12338361

Dtxsid101045111

Structural Information

Molecular Formula
C8H16N2O8S2
SMILES
C(CCCNC(=O)S(=O)(=O)O)CCNC(=O)S(=O)(=O)O
InChI
InChI=1S/C8H16N2O8S2/c11-7(19(13,14)15)9-5-3-1-2-4-6-10-8(12)20(16,17)18/h1-6H2,(H,9,11)(H,10,12)(H,13,14,15)(H,16,17,18)
InChIKey
OPRJDBCRUQFLOO-UHFFFAOYSA-N
Compound name
oxo-[6-(sulfocarbonylamino)hexylamino]methanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.03482 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.04210 172.0
[M+Na]+ 355.02404 172.7
[M+NH4]+ 350.06864 172.5
[M+K]+ 370.99798 170.8
[M-H]- 331.02754 164.6
[M+Na-2H]- 353.00949 168.4
[M]+ 332.03427 169.9
[M]- 332.03537 169.9
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.