CID 119094422

3-(ethylsulfanyl)-1,2-dihydropyridin-2-one

Structural Information

Molecular Formula
C7H9NOS
SMILES
CCSC1=CC=CNC1=O
InChI
InChI=1S/C7H9NOS/c1-2-10-6-4-3-5-8-7(6)9/h3-5H,2H2,1H3,(H,8,9)
InChIKey
XDLYBXIAVDXHAO-UHFFFAOYSA-N
Compound name
3-ethylsulfanyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.04048 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.04776 128.0
[M+Na]+ 178.02970 137.4
[M-H]- 154.03320 129.6
[M+NH4]+ 173.07430 148.0
[M+K]+ 194.00364 133.8
[M+H-H2O]+ 138.03774 122.4
[M+HCOO]- 200.03868 145.6
[M+CH3COO]- 214.05433 171.5
[M+Na-2H]- 176.01515 132.7
[M]+ 155.03993 129.1
[M]- 155.04103 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