CID 865111

2-chloro-6-ethoxyquinoline-3-methanol

Structural Information

Molecular Formula
C12H12ClNO2
SMILES
CCOC1=CC2=CC(=C(N=C2C=C1)Cl)CO
InChI
InChI=1S/C12H12ClNO2/c1-2-16-10-3-4-11-8(6-10)5-9(7-15)12(13)14-11/h3-6,15H,2,7H2,1H3
InChIKey
RTHYLIJSULORHP-UHFFFAOYSA-N
Compound name
(2-chloro-6-ethoxyquinolin-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.05565 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.062926 148.5
[M+Na]+ 260.044868 159.1
[M-H]- 236.048374 150.7
[M+NH4]+ 255.089473 166.8
[M+K]+ 276.018808 154.0
[M+H-H2O]+ 220.052910 142.6
[M+HCOO]- 282.053851 165.0
[M+CH3COO]- 296.069501 189.1
[M+Na-2H]- 258.030316 155.4
[M]+ 237.05510142 153.0
[M]- 237.05619858 153.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.