CID 53338769

8-ethynylquinoline

Structural Information

Molecular Formula
C11H7N
SMILES
C#CC1=CC=CC2=C1N=CC=C2
InChI
InChI=1S/C11H7N/c1-2-9-5-3-6-10-7-4-8-12-11(9)10/h1,3-8H
InChIKey
PBKFDEMENCIDDQ-UHFFFAOYSA-N
Compound name
8-ethynylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

48
Patents

153.05785 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.06513 134.6
[M+Na]+ 176.04707 149.8
[M+NH4]+ 171.09167 141.1
[M+K]+ 192.02101 138.4
[M-H]- 152.05057 129.9
[M+Na-2H]- 174.03252 140.3
[M]+ 153.05730 134.8
[M]- 153.05840 134.8
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