CID 3023425

Dtxsid501304294

Structural Information

Molecular Formula
C21H29NO
SMILES
CCCCC=CCCCCCCC1=C(C2=C(C=CC=N2)C=C1)O
InChI
InChI=1S/C21H29NO/c1-2-3-4-5-6-7-8-9-10-11-13-19-16-15-18-14-12-17-22-20(18)21(19)23/h5-6,12,14-17,23H,2-4,7-11,13H2,1H3
InChIKey
HUUKLNYZHHNMTB-UHFFFAOYSA-N
Compound name
7-dodec-7-enylquinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.2249 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.232176 180.2
[M+Na]+ 334.214118 185.6
[M-H]- 310.217624 180.6
[M+NH4]+ 329.258723 194.3
[M+K]+ 350.188058 178.8
[M+H-H2O]+ 294.222160 171.8
[M+HCOO]- 356.223101 198.2
[M+CH3COO]- 370.238751 207.6
[M+Na-2H]- 332.199566 183.3
[M]+ 311.22435142 183.1
[M]- 311.22544858 183.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.