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]+ 218.117556 147.7
[M+Na]+ 240.099498 156.2
[M-H]- 216.103004 149.6
[M+NH4]+ 235.144103 165.6
[M+K]+ 256.073438 152.6
[M+H-H2O]+ 200.107540 140.7
[M+HCOO]- 262.108481 168.5
[M+CH3COO]- 276.124131 187.1
[M+Na-2H]- 238.084946 155.2
[M]+ 217.10973142 150.1
[M]- 217.11082858 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.