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-chloro-3-pyridinyl)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]+ 268.121106 161.7
[M+Na]+ 290.103048 167.3
[M-H]- 266.106554 164.1
[M+NH4]+ 285.147653 175.4
[M+K]+ 306.076988 162.2
[M+H-H2O]+ 250.111090 153.1
[M+HCOO]- 312.112031 174.6
[M+CH3COO]- 326.127681 197.7
[M+Na-2H]- 288.088496 163.6
[M]+ 267.11328142 158.4
[M]- 267.11437858 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.