CID 1895574

2055999-80-7

Structural Information

Molecular Formula
C13H15NO2
SMILES
CCCOCC1=C2C=CC=NC2=C(C=C1)O
InChI
InChI=1S/C13H15NO2/c1-2-8-16-9-10-5-6-12(15)13-11(10)4-3-7-14-13/h3-7,15H,2,8-9H2,1H3
InChIKey
DQZHKQYVEGZFRE-UHFFFAOYSA-N
Compound name
5-(propoxymethyl)quinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

217.11028 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.11756 147.7
[M+Na]+ 240.09950 156.2
[M-H]- 216.10300 149.6
[M+NH4]+ 235.14410 165.6
[M+K]+ 256.07344 152.6
[M+H-H2O]+ 200.10754 140.7
[M+HCOO]- 262.10848 168.5
[M+CH3COO]- 276.12413 187.1
[M+Na-2H]- 238.08495 155.2
[M]+ 217.10973 150.1
[M]- 217.11083 150.1
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

No patent data available for this compound.