CID 3017721

7-undecylquinolin-8-ol

Structural Information

Molecular Formula
C20H29NO
SMILES
CCCCCCCCCCCC1=C(C2=C(C=CC=N2)C=C1)O
InChI
InChI=1S/C20H29NO/c1-2-3-4-5-6-7-8-9-10-12-18-15-14-17-13-11-16-21-19(17)20(18)22/h11,13-16,22H,2-10,12H2,1H3
InChIKey
GWEBMPLMIBHPCC-UHFFFAOYSA-N
Compound name
7-undecylquinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

299.2249 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.23218 176.8
[M+Na]+ 322.21412 182.2
[M-H]- 298.21762 177.2
[M+NH4]+ 317.25872 191.3
[M+K]+ 338.18806 176.3
[M+H-H2O]+ 282.22216 168.4
[M+HCOO]- 344.22310 194.8
[M+CH3COO]- 358.23875 206.1
[M+Na-2H]- 320.19957 180.3
[M]+ 299.22435 180.1
[M]- 299.22545 180.1
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