CID 7130677

863763-95-5

Structural Information

Molecular Formula
C10H8N2OS
SMILES
CC1=CC(=O)N2C(=CSC2=C1C#N)C
InChI
InChI=1S/C10H8N2OS/c1-6-3-9(13)12-7(2)5-14-10(12)8(6)4-11/h3,5H,1-2H3
InChIKey
YQLHSTADBBGTBK-UHFFFAOYSA-N
Compound name
3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

204.03574 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.043016 146.5
[M+Na]+ 227.024958 162.0
[M-H]- 203.028464 151.2
[M+NH4]+ 222.069563 166.7
[M+K]+ 242.998898 156.9
[M+H-H2O]+ 187.033000 134.6
[M+HCOO]- 249.033941 163.2
[M+CH3COO]- 263.049591 159.9
[M+Na-2H]- 225.010406 149.2
[M]+ 204.03519142 147.3
[M]- 204.03628858 147.3
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

No patent data available for this compound.