CID 821166

4-methyl-2-(propan-2-yl)pyridine-3,5-dicarbonitrile

Structural Information

Molecular Formula
C11H11N3
SMILES
CC1=C(C(=NC=C1C#N)C(C)C)C#N
InChI
InChI=1S/C11H11N3/c1-7(2)11-10(5-13)8(3)9(4-12)6-14-11/h6-7H,1-3H3
InChIKey
PFUFHISMWVLMMN-UHFFFAOYSA-N
Compound name
4-methyl-2-propan-2-ylpyridine-3,5-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.09529 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.102566 150.2
[M+Na]+ 208.084508 160.2
[M-H]- 184.088014 152.7
[M+NH4]+ 203.129113 162.5
[M+K]+ 224.058448 157.4
[M+H-H2O]+ 168.092550 134.6
[M+HCOO]- 230.093491 161.5
[M+CH3COO]- 244.109141 217.7
[M+Na-2H]- 206.069956 151.6
[M]+ 185.09474142 142.8
[M]- 185.09583858 142.8
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.