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

1
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 168.5
[M+Na]+ 355.02404 171.1
[M-H]- 331.02754 164.1
[M+NH4]+ 350.06864 179.3
[M+K]+ 370.99798 167.4
[M+H-H2O]+ 315.03208 161.8
[M+HCOO]- 377.03302 176.5
[M+CH3COO]- 391.04867 198.6
[M+Na-2H]- 353.00949 171.0
[M]+ 332.03427 171.5
[M]- 332.03537 171.5
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