CID 21860

1h-indole-2,3-diol

Structural Information

Molecular Formula
C8H7NO2
SMILES
C1=CC=C2C(=C1)C(=C(N2)O)O
InChI
InChI=1S/C8H7NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4,9-11H
InChIKey
PGNRLPTYNKQQDY-UHFFFAOYSA-N
Compound name
1H-indole-2,3-diol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

24
References

2159
Patents

149.04768 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.05496 126.0
[M+Na]+ 172.03690 136.8
[M-H]- 148.04040 126.5
[M+NH4]+ 167.08150 147.3
[M+K]+ 188.01084 132.6
[M+H-H2O]+ 132.04494 121.2
[M+HCOO]- 194.04588 147.7
[M+CH3COO]- 208.06153 140.1
[M+Na-2H]- 170.02235 133.7
[M]+ 149.04713 125.2
[M]- 149.04823 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