CID 408887

Nsc16562

Structural Information

Molecular Formula
CH5NO6S2
SMILES
C(N)(S(=O)(=O)O)S(=O)(=O)O
InChI
InChI=1S/CH5NO6S2/c2-1(9(3,4)5)10(6,7)8/h1H,2H2,(H,3,4,5)(H,6,7,8)
InChIKey
KDTXFXOVUDTJPI-UHFFFAOYSA-N
Compound name
aminomethanedisulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

190.95583 Da
Monoisotopic Mass

-5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.96311 133.2
[M+Na]+ 213.94505 140.1
[M-H]- 189.94855 129.9
[M+NH4]+ 208.98965 150.1
[M+K]+ 229.91899 137.1
[M+H-H2O]+ 173.95309 128.5
[M+HCOO]- 235.95403 142.1
[M+CH3COO]- 249.96968 171.0
[M+Na-2H]- 211.93050 136.6
[M]+ 190.95528 133.3
[M]- 190.95638 133.3
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.