CID 13226207

Sodium 2-cyanoethane-1-sulfinate

Structural Information

Molecular Formula
C3H5NO2S
SMILES
C(CS(=O)O)C#N
InChI
InChI=1S/C3H5NO2S/c4-2-1-3-7(5)6/h1,3H2,(H,5,6)
InChIKey
YMTCMBFUXPOIMN-UHFFFAOYSA-N
Compound name
2-cyanoethanesulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

119.0041 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.011376 122.8
[M+Na]+ 141.993318 132.7
[M-H]- 117.996824 123.6
[M+NH4]+ 137.037923 143.1
[M+K]+ 157.967258 132.4
[M+H-H2O]+ 102.001360 112.2
[M+HCOO]- 164.002301 137.3
[M+CH3COO]- 178.017951 178.5
[M+Na-2H]- 139.978766 126.3
[M]+ 119.00355142 119.8
[M]- 119.00464858 119.8
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

patents stripe