CID 6479251

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

Structural Information

Molecular Formula
C23H33N
SMILES
CCCCCCCCCCCC/C=C/C1=NC2=CC=CC=C2C=C1
InChI
InChI=1S/C23H33N/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-22-20-19-21-16-14-15-18-23(21)24-22/h13-20H,2-12H2,1H3/b17-13+
InChIKey
FARACXMRBWOYPL-GHRIWEEISA-N
Compound name
2-[(E)-tetradec-1-enyl]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

323.2613 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.26858 185.7
[M+Na]+ 346.25052 189.8
[M-H]- 322.25402 186.6
[M+NH4]+ 341.29512 199.7
[M+K]+ 362.22446 182.7
[M+H-H2O]+ 306.25856 176.4
[M+HCOO]- 368.25950 204.2
[M+CH3COO]- 382.27515 213.1
[M+Na-2H]- 344.23597 188.8
[M]+ 323.26075 189.3
[M]- 323.26185 189.3
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

No patent data available for this compound.