CID 10535709

Methyl 6-hydroxy-1h-indole-2-carboxylate

Structural Information

Molecular Formula

C₁₀H₉NO₃

SMILES

COC(=O)C1=CC2=C(N1)C=C(C=C2)O

InChI

InChI=1S/C10H9NO3/c1-14-10(13)9-4-6-2-3-7(12)5-8(6)11-9/h2-5,11-12H,1H3

InChIKey

PFHGZEXEKZRMIP-UHFFFAOYSA-N

Compound name

methyl 6-hydroxy-1H-indole-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 56
Patents: 191.05824 Da
Monoisotopic Mass: 2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	192.065516	137.4
[M+Na]+	214.047458	147.7
[M-H]-	190.050964	139.1
[M+NH4]+	209.092063	157.6
[M+K]+	230.021398	144.4
[M+H-H2O]+	174.055500	131.9
[M+HCOO]-	236.056441	159.3
[M+CH3COO]-	250.072091	176.7
[M+Na-2H]-	212.032906	143.3
[M]+	191.05769142	139.2
[M]-	191.05878858	139.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe