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]+ 197.07431 141.5
[M+Na]+ 219.05625 150.0
[M-H]- 195.05975 145.8
[M+NH4]+ 214.10085 160.8
[M+K]+ 235.03019 147.2
[M+H-H2O]+ 179.06429 134.5
[M+HCOO]- 241.06523 156.9
[M+CH3COO]- 255.08088 154.2
[M+Na-2H]- 217.04170 141.8
[M]+ 196.06648 140.4
[M]- 196.06758 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