CID 16227925

930395-74-7

Structural Information

Molecular Formula
C13H10N2
SMILES
C1=CC=NC(=C1)C#CC2=CC(=CC=C2)N
InChI
InChI=1S/C13H10N2/c14-12-5-3-4-11(10-12)7-8-13-6-1-2-9-15-13/h1-6,9-10H,14H2
InChIKey
FPKGDVGTWRHHDB-UHFFFAOYSA-N
Compound name
3-(2-pyridin-2-ylethynyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

194.0844 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.09168 147.2
[M+Na]+ 217.07362 157.3
[M-H]- 193.07712 149.5
[M+NH4]+ 212.11822 162.4
[M+K]+ 233.04756 150.5
[M+H-H2O]+ 177.08166 133.3
[M+HCOO]- 239.08260 164.9
[M+CH3COO]- 253.09825 157.8
[M+Na-2H]- 215.05907 152.8
[M]+ 194.08385 138.8
[M]- 194.08495 138.8
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