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

literature stripe

Patent stripe

patents stripe