CID 21904362

51991-39-0

Structural Information

Molecular Formula
C10H9NO3
SMILES
COC(=O)C1=CC2=C(N1)C=CC(=C2)O
InChI
InChI=1S/C10H9NO3/c1-14-10(13)9-5-6-4-7(12)2-3-8(6)11-9/h2-5,11-12H,1H3
InChIKey
JOGDFBLWRNQZRO-UHFFFAOYSA-N
Compound name
methyl 5-hydroxy-1H-indole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

98
Patents

191.05824 Da
Monoisotopic Mass

2.1
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

patents stripe