CID 6481992

5-propylquinolin-8-ol

Structural Information

Molecular Formula
C12H13NO
SMILES
CCCC1=C2C=CC=NC2=C(C=C1)O
InChI
InChI=1S/C12H13NO/c1-2-4-9-6-7-11(14)12-10(9)5-3-8-13-12/h3,5-8,14H,2,4H2,1H3
InChIKey
BOXNYHLDKROWND-UHFFFAOYSA-N
Compound name
5-propylquinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6
Patents

187.09972 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.10700 139.8
[M+Na]+ 210.08894 148.8
[M-H]- 186.09244 141.9
[M+NH4]+ 205.13354 159.0
[M+K]+ 226.06288 144.9
[M+H-H2O]+ 170.09698 133.2
[M+HCOO]- 232.09792 160.7
[M+CH3COO]- 246.11357 182.1
[M+Na-2H]- 208.07439 147.9
[M]+ 187.09917 140.4
[M]- 187.10027 140.4
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