CID 28963809

(2-methoxyquinolin-3-yl)methanol

Structural Information

Molecular Formula
C11H11NO2
SMILES
COC1=NC2=CC=CC=C2C=C1CO
InChI
InChI=1S/C11H11NO2/c1-14-11-9(7-13)6-8-4-2-3-5-10(8)12-11/h2-6,13H,7H2,1H3
InChIKey
ZYZUULGZQZCRCQ-UHFFFAOYSA-N
Compound name
(2-methoxyquinolin-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

189.07898 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.086256 138.3
[M+Na]+ 212.068198 147.7
[M-H]- 188.071704 140.6
[M+NH4]+ 207.112803 157.4
[M+K]+ 228.042138 144.6
[M+H-H2O]+ 172.076240 131.8
[M+HCOO]- 234.077181 159.8
[M+CH3COO]- 248.092831 181.1
[M+Na-2H]- 210.053646 147.0
[M]+ 189.07843142 140.1
[M]- 189.07952858 140.1
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

patents stripe