CID 25417292

886363-81-1

Structural Information

Molecular Formula
C13H18ClN3O
SMILES
C1CN(CCC1N)CCC(=O)C2=CN=C(C=C2)Cl
InChI
InChI=1S/C13H18ClN3O/c14-13-2-1-10(9-16-13)12(18)5-8-17-6-3-11(15)4-7-17/h1-2,9,11H,3-8,15H2
InChIKey
HEPZQQJHMHCTRB-UHFFFAOYSA-N
Compound name
3-(4-aminopiperidin-1-yl)-1-(6-chloropyridin-3-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.11383 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.12111 161.7
[M+Na]+ 290.10305 167.3
[M-H]- 266.10655 164.1
[M+NH4]+ 285.14765 175.4
[M+K]+ 306.07699 162.2
[M+H-H2O]+ 250.11109 153.1
[M+HCOO]- 312.11203 174.6
[M+CH3COO]- 326.12768 197.7
[M+Na-2H]- 288.08850 163.6
[M]+ 267.11328 158.4
[M]- 267.11438 158.4
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.