CID 155858713

5-amino-4-methyl-1-(thiolan-3-yl)-1,2-dihydropyridin-2-one hydrochloride

Structural Information

Molecular Formula
C10H14N2OS
SMILES
CC1=CC(=O)N(C=C1N)C2CCSC2
InChI
InChI=1S/C10H14N2OS/c1-7-4-10(13)12(5-9(7)11)8-2-3-14-6-8/h4-5,8H,2-3,6,11H2,1H3
InChIKey
UUBCNKUKGNCUGS-UHFFFAOYSA-N
Compound name
5-amino-4-methyl-1-(thiolan-3-yl)pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.08269 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.08997 144.4
[M+Na]+ 233.07191 153.4
[M-H]- 209.07541 150.1
[M+NH4]+ 228.11651 164.3
[M+K]+ 249.04585 149.5
[M+H-H2O]+ 193.07995 138.0
[M+HCOO]- 255.08089 162.5
[M+CH3COO]- 269.09654 185.8
[M+Na-2H]- 231.05736 144.3
[M]+ 210.08214 143.2
[M]- 210.08324 143.2
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

No patent data available for this compound.