CID 155973483

2648957-72-4

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]+ 143.060376 140.8
[M+Na]+ 165.042318 151.7
[M-H]- 141.045824 142.7
[M+NH4]+ 160.086923 154.1
[M+K]+ 181.016258 147.9
[M+H-H2O]+ 125.050360 125.9
[M+HCOO]- 187.051301 151.8
[M+CH3COO]- 201.066951 207.7
[M+Na-2H]- 163.027766 143.9
[M]+ 142.05255142 132.6
[M]- 142.05364858 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.