CID 3064975

3-pyridinecarbonitrile, 2,6-dimethyl-4-(1-piperidinyl)-, 1-oxide, monohydrochloride

Structural Information

Molecular Formula
C13H17N3O
SMILES
CC1=CC(=C(C(=[N+]1[O-])C)C#N)N2CCCCC2
InChI
InChI=1S/C13H17N3O/c1-10-8-13(15-6-4-3-5-7-15)12(9-14)11(2)16(10)17/h8H,3-7H2,1-2H3
InChIKey
CZLKVNNLXMACNL-UHFFFAOYSA-N
Compound name
2,6-dimethyl-1-oxido-4-piperidin-1-ylpyridin-1-ium-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.13716 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.14444 153.7
[M+Na]+ 254.12638 167.8
[M+NH4]+ 249.17098 158.6
[M+K]+ 270.10032 159.5
[M-H]- 230.12988 150.5
[M+Na-2H]- 252.11183 157.5
[M]+ 231.13661 154.0
[M]- 231.13771 154.0
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.