CID 3025961

2-methyl-6-(phenylethynyl)pyridine

Structural Information

Molecular Formula
C14H11N
SMILES
CC1=NC(=CC=C1)C#CC2=CC=CC=C2
InChI
InChI=1S/C14H11N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-9H,1H3
InChIKey
NEWKHUASLBMWRE-UHFFFAOYSA-N
Compound name
2-methyl-6-(2-phenylethynyl)pyridine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

730
References

8736
Patents

193.08914 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.09642 145.1
[M+Na]+ 216.07836 155.8
[M-H]- 192.08186 147.9
[M+NH4]+ 211.12296 161.0
[M+K]+ 232.05230 148.9
[M+H-H2O]+ 176.08640 131.4
[M+HCOO]- 238.08734 162.3
[M+CH3COO]- 252.10299 156.3
[M+Na-2H]- 214.06381 151.1
[M]+ 193.08859 138.7
[M]- 193.08969 138.7
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