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 140.8
[M+Na]+ 165.04232 151.7
[M-H]- 141.04582 142.7
[M+NH4]+ 160.08692 154.1
[M+K]+ 181.01626 147.9
[M+H-H2O]+ 125.05036 125.9
[M+HCOO]- 187.05130 151.8
[M+CH3COO]- 201.06695 207.7
[M+Na-2H]- 163.02777 143.9
[M]+ 142.05255 132.6
[M]- 142.05365 132.6
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.