CID 14144546

Methyl 5-hydroxy-1h-indole-3-carboxylate

Structural Information

Molecular Formula
C10H9NO3
SMILES
COC(=O)C1=CNC2=C1C=C(C=C2)O
InChI
InChI=1S/C10H9NO3/c1-14-10(13)8-5-11-9-3-2-6(12)4-7(8)9/h2-5,11-12H,1H3
InChIKey
LRAADKIIEUFKEG-UHFFFAOYSA-N
Compound name
methyl 5-hydroxy-1H-indole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

191.05824 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.06552 137.4
[M+Na]+ 214.04746 147.7
[M-H]- 190.05096 139.1
[M+NH4]+ 209.09206 157.6
[M+K]+ 230.02140 144.4
[M+H-H2O]+ 174.05550 131.9
[M+HCOO]- 236.05644 159.3
[M+CH3COO]- 250.07209 176.7
[M+Na-2H]- 212.03291 143.3
[M]+ 191.05769 139.2
[M]- 191.05879 139.2
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

No patent data available for this compound.