CID 901013

353258-80-7

Structural Information

Molecular Formula
C12H15ClN2O
SMILES
CC1CCN(CC1)C(=O)C2=C(N=CC=C2)Cl
InChI
InChI=1S/C12H15ClN2O/c1-9-4-7-15(8-5-9)12(16)10-3-2-6-14-11(10)13/h2-3,6,9H,4-5,7-8H2,1H3
InChIKey
KOHQTMKPQJEEMF-UHFFFAOYSA-N
Compound name
(2-chloropyridin-3-yl)-(4-methylpiperidin-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.0873 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.09458 152.5
[M+Na]+ 261.07652 159.6
[M-H]- 237.08002 155.7
[M+NH4]+ 256.12112 168.1
[M+K]+ 277.05046 155.1
[M+H-H2O]+ 221.08456 144.4
[M+HCOO]- 283.08550 165.3
[M+CH3COO]- 297.10115 189.8
[M+Na-2H]- 259.06197 155.6
[M]+ 238.08675 150.4
[M]- 238.08785 150.4
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

No patent data available for this compound.