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

23
Patents

182.05139 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.058666 137.2
[M+Na]+ 205.040608 145.3
[M-H]- 181.044114 141.3
[M+NH4]+ 200.085213 156.8
[M+K]+ 221.014548 142.8
[M+H-H2O]+ 165.048650 130.1
[M+HCOO]- 227.049591 153.0
[M+CH3COO]- 241.065241 150.0
[M+Na-2H]- 203.026056 138.7
[M]+ 182.05084142 135.4
[M]- 182.05193858 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