CID 428830

Nsc243637

Structural Information

Molecular Formula
C3H7NO8S2
SMILES
COC(=O)NC(S(=O)(=O)O)S(=O)(=O)O
InChI
InChI=1S/C3H7NO8S2/c1-12-2(5)4-3(13(6,7)8)14(9,10)11/h3H,1H3,(H,4,5)(H,6,7,8)(H,9,10,11)
InChIKey
MHIJCUTYQPLIFG-UHFFFAOYSA-N
Compound name
(methoxycarbonylamino)methanedisulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.9613 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.96858 145.5
[M+Na]+ 271.95052 150.9
[M-H]- 247.95402 142.3
[M+NH4]+ 266.99512 160.0
[M+K]+ 287.92446 148.9
[M+H-H2O]+ 231.95856 140.2
[M+HCOO]- 293.95950 154.1
[M+CH3COO]- 307.97515 180.7
[M+Na-2H]- 269.93597 149.1
[M]+ 248.96075 148.6
[M]- 248.96185 148.6
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.