CID 13253920

6-(ethylthio)pyridin-2(1h)-one

Structural Information

Molecular Formula
C7H9NOS
SMILES
CCSC1=CC=CC(=O)N1
InChI
InChI=1S/C7H9NOS/c1-2-10-7-5-3-4-6(9)8-7/h3-5H,2H2,1H3,(H,8,9)
InChIKey
WLYGBYLGEZJBEU-UHFFFAOYSA-N
Compound name
6-ethylsulfanyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

155.04048 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.047756 128.0
[M+Na]+ 178.029698 137.4
[M-H]- 154.033204 129.6
[M+NH4]+ 173.074303 148.0
[M+K]+ 194.003638 133.8
[M+H-H2O]+ 138.037740 122.4
[M+HCOO]- 200.038681 145.6
[M+CH3COO]- 214.054331 171.5
[M+Na-2H]- 176.015146 132.7
[M]+ 155.03993142 129.1
[M]- 155.04102858 129.1
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