CID 104679093

3-[(6-chloropyridin-3-yl)methyl]piperidin-2-one

Structural Information

Molecular Formula
C11H13ClN2O
SMILES
C1CC(C(=O)NC1)CC2=CN=C(C=C2)Cl
InChI
InChI=1S/C11H13ClN2O/c12-10-4-3-8(7-14-10)6-9-2-1-5-13-11(9)15/h3-4,7,9H,1-2,5-6H2,(H,13,15)
InChIKey
ATMGKXWMMYHZCK-UHFFFAOYSA-N
Compound name
3-[(6-chloro-3-pyridinyl)methyl]piperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.07164 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.078916 148.7
[M+Na]+ 247.060858 155.9
[M-H]- 223.064364 150.5
[M+NH4]+ 242.105463 164.1
[M+K]+ 263.034798 150.3
[M+H-H2O]+ 207.068900 140.9
[M+HCOO]- 269.069841 161.3
[M+CH3COO]- 283.085491 184.0
[M+Na-2H]- 245.046306 152.9
[M]+ 224.07109142 145.0
[M]- 224.07218858 145.0
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.