CID 114683

5,6-dihydroxyindole

Structural Information

Molecular Formula
C8H7NO2
SMILES
C1=CNC2=CC(=C(C=C21)O)O
InChI
InChI=1S/C8H7NO2/c10-7-3-5-1-2-9-6(5)4-8(7)11/h1-4,9-11H
InChIKey
SGNZYJXNUURYCH-UHFFFAOYSA-N
Compound name
1H-indole-5,6-diol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

151
References

8566
Patents

149.04768 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.054956 126.0
[M+Na]+ 172.036898 136.8
[M-H]- 148.040404 126.5
[M+NH4]+ 167.081503 147.3
[M+K]+ 188.010838 132.6
[M+H-H2O]+ 132.044940 121.2
[M+HCOO]- 194.045881 147.7
[M+CH3COO]- 208.061531 140.1
[M+Na-2H]- 170.022346 133.7
[M]+ 149.04713142 125.2
[M]- 149.04822858 125.2
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