CID 11604513

58327-60-9

Structural Information

Molecular Formula

C₁₂H₁₃NO

SMILES

CCCC1=C(C2=C(C=CC=N2)C=C1)O

InChI

InChI=1S/C12H13NO/c1-2-4-10-7-6-9-5-3-8-13-11(9)12(10)14/h3,5-8,14H,2,4H2,1H3

InChIKey

OKPSVYHYNXVYED-UHFFFAOYSA-N

Compound name

7-propylquinolin-8-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 135
Patents: 187.09972 Da
Monoisotopic Mass: 3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	188.106996	139.8
[M+Na]+	210.088938	148.8
[M-H]-	186.092444	141.9
[M+NH4]+	205.133543	159.0
[M+K]+	226.062878	144.9
[M+H-H2O]+	170.096980	133.2
[M+HCOO]-	232.097921	160.7
[M+CH3COO]-	246.113571	182.1
[M+Na-2H]-	208.074386	147.9
[M]+	187.09917142	140.4
[M]-	187.10026858	140.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe