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

1752
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 130.0
[M+Na]+ 186.05254 141.7
[M-H]- 162.05604 132.1
[M+NH4]+ 181.09714 151.8
[M+K]+ 202.02648 138.2
[M+H-H2O]+ 146.06058 125.0
[M+HCOO]- 208.06152 152.9
[M+CH3COO]- 222.07717 173.4
[M+Na-2H]- 184.03799 136.9
[M]+ 163.06277 131.8
[M]- 163.06387 131.8
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