CID 209197

19424-20-5

Structural Information

Molecular Formula

C₈H₇N₃

SMILES

CN1C=CC(C(=C1)C#N)C#N

InChI

InChI=1S/C8H7N3/c1-11-3-2-7(4-9)8(5-10)6-11/h2-3,6-7H,1H3

InChIKey

PBGZBLWWBARASA-UHFFFAOYSA-N

Compound name

1-methyl-4H-pyridine-3,4-dicarbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 145.064 Da
Monoisotopic Mass: 0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	146.07128	159.1
[M+Na]+	168.05322	168.2
[M+NH4]+	163.09782	160.2
[M+K]+	184.02716	157.7
[M-H]-	144.05672	149.3
[M+Na-2H]-	166.03867	158.9
[M]+	145.06345	156.4
[M]-	145.06455	156.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.