CID 12332210

[(methylamino)oxy]sulfonic acid

Structural Information

Molecular Formula
CH5NO4S
SMILES
CNOS(=O)(=O)O
InChI
InChI=1S/CH5NO4S/c1-2-6-7(3,4)5/h2H,1H3,(H,3,4,5)
InChIKey
XGQGOFNBJBCQBX-UHFFFAOYSA-N
Compound name
methylamino hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

126.99393 Da
Monoisotopic Mass

-3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.00121 118.6
[M+Na]+ 149.98315 127.0
[M-H]- 125.98665 118.3
[M+NH4]+ 145.02775 140.0
[M+K]+ 165.95709 126.6
[M+H-H2O]+ 109.99119 114.3
[M+HCOO]- 171.99213 137.6
[M+CH3COO]- 186.00778 164.7
[M+Na-2H]- 147.96860 125.2
[M]+ 126.99338 121.0
[M]- 126.99448 121.0
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