CID 20395055

4-sulfanyl-1,2-dihydropyridin-2-one hydrochloride

Structural Information

Molecular Formula
C5H5NOS
SMILES
C1=CNC(=O)C=C1S
InChI
InChI=1S/C5H5NOS/c7-5-3-4(8)1-2-6-5/h1-3H,(H2,6,7,8)
InChIKey
WLHGWRDIQABYLV-UHFFFAOYSA-N
Compound name
4-sulfanyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

127.009186 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.01646 119.1
[M+Na]+ 149.99840 129.3
[M-H]- 126.00191 121.0
[M+NH4]+ 145.04301 140.2
[M+K]+ 165.97234 126.2
[M+H-H2O]+ 110.00645 113.9
[M+HCOO]- 172.00739 137.3
[M+CH3COO]- 186.02304 165.4
[M+Na-2H]- 147.98385 124.7
[M]+ 127.00864 119.5
[M]- 127.00973 119.5
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