CID 3064973

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

Structural Information

Molecular Formula
C12H15N3O
SMILES
CC1=CC(=C(C(=[N+]1[O-])C)C#N)N2CCCC2
InChI
InChI=1S/C12H15N3O/c1-9-7-12(14-5-3-4-6-14)11(8-13)10(2)15(9)16/h7H,3-6H2,1-2H3
InChIKey
BCRMYVRIWQRIDM-UHFFFAOYSA-N
Compound name
2,6-dimethyl-1-oxido-4-pyrrolidin-1-ylpyridin-1-ium-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.1215 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.12878 148.0
[M+Na]+ 240.11072 161.4
[M+NH4]+ 235.15532 152.9
[M+K]+ 256.08466 155.3
[M-H]- 216.11422 144.2
[M+Na-2H]- 238.09617 151.4
[M]+ 217.12095 148.0
[M]- 217.12205 148.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.