CID 3046839

Piperidine, 1-acetyl-2-(3-pyridinyl)-, monohydrochloride, (s)-

Structural Information

Molecular Formula
C12H16N2O
SMILES
CC(=O)N1CCCC[C@H]1C2=CN=CC=C2
InChI
InChI=1S/C12H16N2O/c1-10(15)14-8-3-2-6-12(14)11-5-4-7-13-9-11/h4-5,7,9,12H,2-3,6,8H2,1H3/t12-/m0/s1
InChIKey
DOBAEHHTUBAASS-LBPRGKRZSA-N
Compound name
1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.12627 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.13355 147.5
[M+Na]+ 227.11549 160.3
[M+NH4]+ 222.16009 155.7
[M+K]+ 243.08943 153.5
[M-H]- 203.11899 150.5
[M+Na-2H]- 225.10094 155.0
[M]+ 204.12572 150.1
[M]- 204.12682 150.1
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.