CID 57572093

6-ethenylquinoline

Structural Information

Molecular Formula
C11H9N
SMILES
C=CC1=CC2=C(C=C1)N=CC=C2
InChI
InChI=1S/C11H9N/c1-2-9-5-6-11-10(8-9)4-3-7-12-11/h2-8H,1H2
InChIKey
LBFCGFOMLOEOBR-UHFFFAOYSA-N
Compound name
6-ethenylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

155.0735 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.08078 129.8
[M+Na]+ 178.06272 139.2
[M-H]- 154.06622 133.2
[M+NH4]+ 173.10732 150.8
[M+K]+ 194.03666 135.2
[M+H-H2O]+ 138.07076 123.3
[M+HCOO]- 200.07170 152.6
[M+CH3COO]- 214.08735 143.9
[M+Na-2H]- 176.04817 139.8
[M]+ 155.07295 129.4
[M]- 155.07405 129.4
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