CID 828415

2-chloro-7-methoxyquinoline-3-methanol

Structural Information

Molecular Formula
C11H10ClNO2
SMILES
COC1=CC2=NC(=C(C=C2C=C1)CO)Cl
InChI
InChI=1S/C11H10ClNO2/c1-15-9-3-2-7-4-8(6-14)11(12)13-10(7)5-9/h2-5,14H,6H2,1H3
InChIKey
VZILTDJTOMNDTH-UHFFFAOYSA-N
Compound name
(2-chloro-7-methoxyquinolin-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

2
Patents

223.04001 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.04729 143.9
[M+Na]+ 246.02923 159.8
[M+NH4]+ 241.07383 153.1
[M+K]+ 262.00317 151.9
[M-H]- 222.03273 146.3
[M+Na-2H]- 244.01468 151.3
[M]+ 223.03946 147.3
[M]- 223.04056 147.3
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

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