CID 428828

Nsc243635

Structural Information

Molecular Formula
C4H9NO8S2
SMILES
CCOC(=O)NC(S(=O)(=O)O)S(=O)(=O)O
InChI
InChI=1S/C4H9NO8S2/c1-2-13-3(6)5-4(14(7,8)9)15(10,11)12/h4H,2H2,1H3,(H,5,6)(H,7,8,9)(H,10,11,12)
InChIKey
JUQJAAHZJSDWAA-UHFFFAOYSA-N
Compound name
(ethoxycarbonylamino)methanedisulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.97696 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.98424 149.7
[M+Na]+ 285.96618 154.7
[M-H]- 261.96968 146.3
[M+NH4]+ 281.01078 163.6
[M+K]+ 301.94012 152.5
[M+H-H2O]+ 245.97422 144.2
[M+HCOO]- 307.97516 157.9
[M+CH3COO]- 321.99081 183.7
[M+Na-2H]- 283.95163 152.9
[M]+ 262.97641 153.1
[M]- 262.97751 153.1
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.