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]+ 120.01138 122.8
[M+Na]+ 141.99332 132.7
[M-H]- 117.99682 123.6
[M+NH4]+ 137.03792 143.1
[M+K]+ 157.96726 132.4
[M+H-H2O]+ 102.00136 112.2
[M+HCOO]- 164.00230 137.3
[M+CH3COO]- 178.01795 178.5
[M+Na-2H]- 139.97877 126.3
[M]+ 119.00355 119.8
[M]- 119.00465 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