CID 1535375

2-chloro-5-(4-methylpiperidine-1-carbonyl)pyridine

Structural Information

Molecular Formula
C12H15ClN2O
SMILES
CC1CCN(CC1)C(=O)C2=CN=C(C=C2)Cl
InChI
InChI=1S/C12H15ClN2O/c1-9-4-6-15(7-5-9)12(16)10-2-3-11(13)14-8-10/h2-3,8-9H,4-7H2,1H3
InChIKey
HFUXHFSZHKPOCB-UHFFFAOYSA-N
Compound name
(6-chloro-3-pyridinyl)-(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]+ 239.094576 152.5
[M+Na]+ 261.076518 159.6
[M-H]- 237.080024 155.7
[M+NH4]+ 256.121123 168.1
[M+K]+ 277.050458 155.1
[M+H-H2O]+ 221.084560 144.4
[M+HCOO]- 283.085501 165.3
[M+CH3COO]- 297.101151 189.8
[M+Na-2H]- 259.061966 155.6
[M]+ 238.08675142 150.4
[M]- 238.08784858 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

literature stripe

Patent stripe

No patent data available for this compound.