CID 428829

Nsc243636

Structural Information

Molecular Formula
C2H6N2O7S2
SMILES
C(NC(=O)N)(S(=O)(=O)O)S(=O)(=O)O
InChI
InChI=1S/C2H6N2O7S2/c3-1(5)4-2(12(6,7)8)13(9,10)11/h2H,(H3,3,4,5)(H,6,7,8)(H,9,10,11)
InChIKey
QBQXPKPKZOXYIH-UHFFFAOYSA-N
Compound name
(carbamoylamino)methanedisulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.96164 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.96892 141.8
[M+Na]+ 256.95086 146.8
[M-H]- 232.95436 137.9
[M+NH4]+ 251.99546 156.1
[M+K]+ 272.92480 143.9
[M+H-H2O]+ 216.95890 136.1
[M+HCOO]- 278.95984 150.5
[M+CH3COO]- 292.97549 181.0
[M+Na-2H]- 254.93631 145.0
[M]+ 233.96109 141.2
[M]- 233.96219 141.2
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.