CID 151232

1-methyl-1h-indole-5,6-diol

Structural Information

Molecular Formula
C9H9NO2
SMILES
CN1C=CC2=CC(=C(C=C21)O)O
InChI
InChI=1S/C9H9NO2/c1-10-3-2-6-4-8(11)9(12)5-7(6)10/h2-5,11-12H,1H3
InChIKey
VXOSJAYSAUDUOR-UHFFFAOYSA-N
Compound name
1-methylindole-5,6-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1721
Patents

163.06332 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.07060 130.5
[M+Na]+ 186.05254 144.3
[M+NH4]+ 181.09714 139.2
[M+K]+ 202.02648 140.3
[M-H]- 162.05604 131.7
[M+Na-2H]- 184.03799 136.5
[M]+ 163.06277 132.7
[M]- 163.06387 132.7
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