CID 54592483

2-chloro-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethan-1-one

Structural Information

Molecular Formula
C14H23ClN2O2
SMILES
CC1CCCN(C1)C(=O)C2CCN(CC2)C(=O)CCl
InChI
InChI=1S/C14H23ClN2O2/c1-11-3-2-6-17(10-11)14(19)12-4-7-16(8-5-12)13(18)9-15/h11-12H,2-10H2,1H3
InChIKey
DTQJNZRNZAYRLL-UHFFFAOYSA-N
Compound name
2-chloro-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

286.1448 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.15208 168.3
[M+Na]+ 309.13402 171.4
[M-H]- 285.13752 170.2
[M+NH4]+ 304.17862 181.6
[M+K]+ 325.10796 167.7
[M+H-H2O]+ 269.14206 160.0
[M+HCOO]- 331.14300 175.6
[M+CH3COO]- 345.15865 198.4
[M+Na-2H]- 307.11947 166.1
[M]+ 286.14425 162.7
[M]- 286.14535 162.7
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

patents stripe