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-chloropyridin-3-yl)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]+ 225.07892 148.7
[M+Na]+ 247.06086 155.9
[M-H]- 223.06436 150.5
[M+NH4]+ 242.10546 164.1
[M+K]+ 263.03480 150.3
[M+H-H2O]+ 207.06890 140.9
[M+HCOO]- 269.06984 161.3
[M+CH3COO]- 283.08549 184.0
[M+Na-2H]- 245.04631 152.9
[M]+ 224.07109 145.0
[M]- 224.07219 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.