CID 6481993

5-butylquinolin-8-ol

Structural Information

Molecular Formula
C13H15NO
SMILES
CCCCC1=C2C=CC=NC2=C(C=C1)O
InChI
InChI=1S/C13H15NO/c1-2-3-5-10-7-8-12(15)13-11(10)6-4-9-14-13/h4,6-9,15H,2-3,5H2,1H3
InChIKey
VKVZVDTXVDFCIJ-UHFFFAOYSA-N
Compound name
5-butylquinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

201.11537 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.122646 144.4
[M+Na]+ 224.104588 153.1
[M-H]- 200.108094 146.4
[M+NH4]+ 219.149193 163.1
[M+K]+ 240.078528 148.9
[M+H-H2O]+ 184.112630 137.7
[M+HCOO]- 246.113571 165.0
[M+CH3COO]- 260.129221 185.1
[M+Na-2H]- 222.090036 152.0
[M]+ 201.11482142 145.4
[M]- 201.11591858 145.4
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