CID 504313

Aminomethanesulfinic acid

Structural Information

Molecular Formula
CH5NO2S
SMILES
C(N)S(=O)O
InChI
InChI=1S/CH5NO2S/c2-1-5(3)4/h1-2H2,(H,3,4)
InChIKey
ISLGHAYMGURDSU-UHFFFAOYSA-N
Compound name
aminomethanesulfinic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

631
Patents

95.0041 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 96.011376 113.4
[M+Na]+ 117.99332 121.2
[M-H]- 93.996824 112.5
[M+NH4]+ 113.03792 135.9
[M+K]+ 133.96726 120.3
[M+H-H2O]+ 78.001360 109.0
[M+HCOO]- 140.00230 131.5
[M+CH3COO]- 154.01795 161.3
[M+Na-2H]- 115.97877 116.8
[M]+ 95.003551 112.5
[M]- 95.004649 112.5
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.