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]+ 312.23218 180.2
[M+Na]+ 334.21412 185.6
[M-H]- 310.21762 180.6
[M+NH4]+ 329.25872 194.3
[M+K]+ 350.18806 178.8
[M+H-H2O]+ 294.22216 171.8
[M+HCOO]- 356.22310 198.2
[M+CH3COO]- 370.23875 207.6
[M+Na-2H]- 332.19957 183.3
[M]+ 311.22435 183.1
[M]- 311.22545 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.