CID 24710666

1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-one

Structural Information

Molecular Formula
C9H12N2OS
SMILES
CC1=CSC(=N1)N2CCC(=O)CC2
InChI
InChI=1S/C9H12N2OS/c1-7-6-13-9(10-7)11-4-2-8(12)3-5-11/h6H,2-5H2,1H3
InChIKey
UPWQKQOOWMHNHK-UHFFFAOYSA-N
Compound name
1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

196.06703 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.074306 141.5
[M+Na]+ 219.056248 150.0
[M-H]- 195.059754 145.8
[M+NH4]+ 214.100853 160.8
[M+K]+ 235.030188 147.2
[M+H-H2O]+ 179.064290 134.5
[M+HCOO]- 241.065231 156.9
[M+CH3COO]- 255.080881 154.2
[M+Na-2H]- 217.041696 141.8
[M]+ 196.06648142 140.4
[M]- 196.06757858 140.4
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