CID 12857229

7-(aminomethyl)-5-chloroquinolin-8-ol dihydrochloride

Structural Information

Molecular Formula
C10H9ClN2O
SMILES
C1=CC2=C(C=C(C(=C2N=C1)O)CN)Cl
InChI
InChI=1S/C10H9ClN2O/c11-8-4-6(5-12)10(14)9-7(8)2-1-3-13-9/h1-4,14H,5,12H2
InChIKey
SQCZWJHTVFDEGE-UHFFFAOYSA-N
Compound name
7-(aminomethyl)-5-chloroquinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

208.04034 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.04762 140.5
[M+Na]+ 231.02956 155.5
[M+NH4]+ 226.07416 149.7
[M+K]+ 247.00350 147.9
[M-H]- 207.03306 143.5
[M+Na-2H]- 229.01501 147.7
[M]+ 208.03979 143.8
[M]- 208.04089 143.8
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

patents stripe