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

4
Patents

208.04034 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.047616 141.2
[M+Na]+ 231.029558 152.0
[M-H]- 207.033064 143.2
[M+NH4]+ 226.074163 160.2
[M+K]+ 247.003498 146.4
[M+H-H2O]+ 191.037600 135.8
[M+HCOO]- 253.038541 158.6
[M+CH3COO]- 267.054191 154.3
[M+Na-2H]- 229.015006 148.5
[M]+ 208.03979142 142.0
[M]- 208.04088858 142.0
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

patents stripe