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]+ 186.10257 150.2
[M+Na]+ 208.08451 160.2
[M-H]- 184.08801 152.7
[M+NH4]+ 203.12911 162.5
[M+K]+ 224.05845 157.4
[M+H-H2O]+ 168.09255 134.6
[M+HCOO]- 230.09349 161.5
[M+CH3COO]- 244.10914 217.7
[M+Na-2H]- 206.06996 151.6
[M]+ 185.09474 142.8
[M]- 185.09584 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.