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 154.3
[M+Na]+ 254.12638 163.0
[M-H]- 230.12988 155.7
[M+NH4]+ 249.17098 167.1
[M+K]+ 270.10032 153.9
[M+H-H2O]+ 214.13442 143.9
[M+HCOO]- 276.13536 168.1
[M+CH3COO]- 290.15101 195.4
[M+Na-2H]- 252.11183 158.1
[M]+ 231.13661 144.2
[M]- 231.13771 144.2
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.