CID 504313

Sodium aminomethanesulphinate

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]+ 117.993318 121.2
[M-H]- 93.996824 112.5
[M+NH4]+ 113.037923 135.9
[M+K]+ 133.967258 120.3
[M+H-H2O]+ 78.001360 109.0
[M+HCOO]- 140.002301 131.5
[M+CH3COO]- 154.017951 161.3
[M+Na-2H]- 115.978766 116.8
[M]+ 95.00355142 112.5
[M]- 95.00464858 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

literature stripe

Patent stripe

patents stripe