CID 675786

5-(hydroxymethyl)quinolin-8-ol

Structural Information

Molecular Formula
C10H9NO2
SMILES
C1=CC2=C(C=CC(=C2N=C1)O)CO
InChI
InChI=1S/C10H9NO2/c12-6-7-3-4-9(13)10-8(7)2-1-5-11-10/h1-5,12-13H,6H2
InChIKey
ZBNACESDSSHENJ-UHFFFAOYSA-N
Compound name
5-(hydroxymethyl)quinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

81
Patents

175.06332 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.07060 134.2
[M+Na]+ 198.05254 143.6
[M-H]- 174.05604 135.3
[M+NH4]+ 193.09714 153.1
[M+K]+ 214.02648 139.8
[M+H-H2O]+ 158.06058 128.1
[M+HCOO]- 220.06152 154.5
[M+CH3COO]- 234.07717 175.6
[M+Na-2H]- 196.03799 142.9
[M]+ 175.06277 133.7
[M]- 175.06387 133.7
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