CID 6479250

2-[(e)-but-1-enyl]quinoline

Structural Information

Molecular Formula
C13H13N
SMILES
CC/C=C/C1=NC2=CC=CC=C2C=C1
InChI
InChI=1S/C13H13N/c1-2-3-7-12-10-9-11-6-4-5-8-13(11)14-12/h3-10H,2H2,1H3/b7-3+
InChIKey
UMWRFPRAPZMEPQ-XVNBXDOJSA-N
Compound name
2-[(E)-but-1-enyl]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

11
Patents

183.1048 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.11208 139.5
[M+Na]+ 206.09402 148.1
[M-H]- 182.09752 142.5
[M+NH4]+ 201.13862 159.4
[M+K]+ 222.06796 143.6
[M+H-H2O]+ 166.10206 132.5
[M+HCOO]- 228.10300 161.6
[M+CH3COO]- 242.11865 183.1
[M+Na-2H]- 204.07947 148.3
[M]+ 183.10425 139.7
[M]- 183.10535 139.7
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