CID 6453650

1,2,3,4-tetrahydrobenzo[h]quinoline-3,7-diol

Structural Information

Molecular Formula
C13H13NO2
SMILES
C1C(CNC2=C1C=CC3=C2C=CC=C3O)O
InChI
InChI=1S/C13H13NO2/c15-9-6-8-4-5-10-11(13(8)14-7-9)2-1-3-12(10)16/h1-5,9,14-16H,6-7H2
InChIKey
DTAFUEOJPSQELT-UHFFFAOYSA-N
Compound name
1,2,3,4-tetrahydrobenzo[h]quinoline-3,7-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

215.09464 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.101916 145.4
[M+Na]+ 238.083858 153.3
[M-H]- 214.087364 145.4
[M+NH4]+ 233.128463 162.9
[M+K]+ 254.057798 147.6
[M+H-H2O]+ 198.091900 139.1
[M+HCOO]- 260.092841 159.9
[M+CH3COO]- 274.108491 156.4
[M+Na-2H]- 236.069306 152.5
[M]+ 215.09409142 140.5
[M]- 215.09518858 140.5
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