CID 53687019

3-ethynyl-5-methylpyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
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

No literature data available for this compound.

Patent stripe

patents stripe