CID 68751998

3-aminoquinolin-8-ol

Structural Information

Molecular Formula
C9H8N2O
SMILES
C1=CC2=CC(=CN=C2C(=C1)O)N
InChI
InChI=1S/C9H8N2O/c10-7-4-6-2-1-3-8(12)9(6)11-5-7/h1-5,12H,10H2
InChIKey
CHYHTAKZXPWRHO-UHFFFAOYSA-N
Compound name
3-aminoquinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

160.06366 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.070936 130.1
[M+Na]+ 183.052878 139.7
[M-H]- 159.056384 132.3
[M+NH4]+ 178.097483 149.9
[M+K]+ 199.026818 136.0
[M+H-H2O]+ 143.060920 124.0
[M+HCOO]- 205.061861 152.5
[M+CH3COO]- 219.077511 143.8
[M+Na-2H]- 181.038326 139.3
[M]+ 160.06311142 128.1
[M]- 160.06420858 128.1
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