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]+ 224.047286 143.7
[M+Na]+ 246.029228 154.9
[M-H]- 222.032734 146.2
[M+NH4]+ 241.073833 162.7
[M+K]+ 262.003168 150.0
[M+H-H2O]+ 206.037270 138.1
[M+HCOO]- 268.038211 160.6
[M+CH3COO]- 282.053861 186.1
[M+Na-2H]- 244.014676 151.2
[M]+ 223.03946142 147.9
[M]- 223.04055858 147.9
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