CID 53878721

Ethanesulfinamide

Structural Information

Molecular Formula
C2H7NOS
SMILES
CCS(=O)N
InChI
InChI=1S/C2H7NOS/c1-2-5(3)4/h2-3H2,1H3
InChIKey
HIGURQRYZKCDQF-UHFFFAOYSA-N
Compound name
ethanesulfinamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

343
Patents

93.02483 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 94.032106 114.1
[M+Na]+ 116.01405 122.1
[M-H]- 92.017554 114.6
[M+NH4]+ 111.05865 137.5
[M+K]+ 131.98799 121.5
[M+H-H2O]+ 76.022090 109.6
[M+HCOO]- 138.02303 133.2
[M+CH3COO]- 152.03868 165.0
[M+Na-2H]- 113.99950 117.5
[M]+ 93.024281 114.1
[M]- 93.025379 114.1
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