CID 18726960

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

Structural Information

Molecular Formula
C8H10N2OS
SMILES
C1CN(CCC1=O)C2=NC=CS2
InChI
InChI=1S/C8H10N2OS/c11-7-1-4-10(5-2-7)8-9-3-6-12-8/h3,6H,1-2,4-5H2
InChIKey
WUYSQZNFGYMRFP-UHFFFAOYSA-N
Compound name
1-(1,3-thiazol-2-yl)piperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

182.05139 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.05867 137.2
[M+Na]+ 205.04061 145.3
[M-H]- 181.04411 141.3
[M+NH4]+ 200.08521 156.8
[M+K]+ 221.01455 142.8
[M+H-H2O]+ 165.04865 130.1
[M+HCOO]- 227.04959 153.0
[M+CH3COO]- 241.06524 150.0
[M+Na-2H]- 203.02606 138.7
[M]+ 182.05084 135.4
[M]- 182.05194 135.4
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