CID 2512693

790271-19-1

Structural Information

Molecular Formula
C10H13ClN2OS
SMILES
C1CCN(CC1)C2=NC=C(S2)C(=O)CCl
InChI
InChI=1S/C10H13ClN2OS/c11-6-8(14)9-7-12-10(15-9)13-4-2-1-3-5-13/h7H,1-6H2
InChIKey
IPYQAOGETYUVCW-UHFFFAOYSA-N
Compound name
2-chloro-1-(2-piperidin-1-yl-1,3-thiazol-5-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.04372 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.05100 152.5
[M+Na]+ 267.03294 159.8
[M-H]- 243.03644 156.2
[M+NH4]+ 262.07754 170.2
[M+K]+ 283.00688 155.7
[M+H-H2O]+ 227.04098 145.5
[M+HCOO]- 289.04192 161.8
[M+CH3COO]- 303.05757 163.8
[M+Na-2H]- 265.01839 151.5
[M]+ 244.04317 152.5
[M]- 244.04427 152.5
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

No patent data available for this compound.