CID 155973483

5-ethynyl-3-methylpyridine-2-carbonitrile

Structural Information

Molecular Formula
C9H6N2
SMILES
CC1=CC(=CN=C1C#N)C#C
InChI
InChI=1S/C9H6N2/c1-3-8-4-7(2)9(5-10)11-6-8/h1,4,6H,2H3
InChIKey
NQHCZRUFUHTELS-UHFFFAOYSA-N
Compound name
5-ethynyl-3-methylpyridine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

142.0531 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.06038 156.1
[M+Na]+ 165.04232 166.2
[M+NH4]+ 160.08692 157.3
[M+K]+ 181.01626 155.5
[M-H]- 141.04582 146.0
[M+Na-2H]- 163.02777 156.4
[M]+ 142.05255 153.5
[M]- 142.05365 153.5
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.