CID 638197

5-ethynyl-2-methylpyridine

Structural Information

Molecular Formula
C8H7N
SMILES
CC1=NC=C(C=C1)C#C
InChI
InChI=1S/C8H7N/c1-3-8-5-4-7(2)9-6-8/h1,4-6H,2H3
InChIKey
NKVINJAPLKEYQS-UHFFFAOYSA-N
Compound name
5-ethynyl-2-methylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

289
Patents

117.057846 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.065122 121.1
[M+Na]+ 140.047064 132.3
[M-H]- 116.050570 122.1
[M+NH4]+ 135.091669 140.1
[M+K]+ 156.021004 128.8
[M+H-H2O]+ 100.055106 109.2
[M+HCOO]- 162.056047 138.9
[M+CH3COO]- 176.071697 179.8
[M+Na-2H]- 138.032512 128.3
[M]+ 117.05729742 115.5
[M]- 117.05839458 115.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe