CID 178244223

1-hydroxy-6-methyl-2,3-dihydroindole-2,3-diol

Structural Information

Molecular Formula
C9H11NO3
SMILES
CC1=CC2=C(C=C1)C(C(N2O)O)O
InChI
InChI=1S/C9H11NO3/c1-5-2-3-6-7(4-5)10(13)9(12)8(6)11/h2-4,8-9,11-13H,1H3
InChIKey
MSOXIMCVWIKOBP-UHFFFAOYSA-N
Compound name
1-hydroxy-6-methyl-2,3-dihydroindole-2,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.0739 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.081176 136.4
[M+Na]+ 204.063118 146.4
[M-H]- 180.066624 136.7
[M+NH4]+ 199.107723 156.7
[M+K]+ 220.037058 142.9
[M+H-H2O]+ 164.071160 131.8
[M+HCOO]- 226.072101 154.9
[M+CH3COO]- 240.087751 175.0
[M+Na-2H]- 202.048566 140.2
[M]+ 181.07335142 135.3
[M]- 181.07444858 135.3
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

No patent data available for this compound.