CID 13400635

2-ethynyl-6-methylpyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

267
Patents

117.057846 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.06512 123.3
[M+Na]+ 140.04706 137.3
[M+NH4]+ 135.09167 129.1
[M+K]+ 156.02100 127.3
[M-H]- 116.05057 117.7
[M+Na-2H]- 138.03251 128.6
[M]+ 117.05730 123.0
[M]- 117.05839 123.0
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