CID 12361768

39203-20-8

Structural Information

Molecular Formula

C₁₀H₉NO₂

SMILES

COC(=O)N1C=CC2=CC=CC=C21

InChI

InChI=1S/C10H9NO2/c1-13-10(12)11-7-6-8-4-2-3-5-9(8)11/h2-7H,1H3

InChIKey

FHOPBCYBMWVMGJ-UHFFFAOYSA-N

Compound name

methyl indole-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 115
Patents: 175.06332 Da
Monoisotopic Mass: 2.3
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]+	176.07060	134.3
[M+Na]+	198.05254	148.0
[M+NH4]+	193.09714	143.2
[M+K]+	214.02648	143.4
[M-H]-	174.05604	135.9
[M+Na-2H]-	196.03799	141.3
[M]+	175.06277	136.7
[M]-	175.06387	136.7

Literature stripe

literature stripe

Patent stripe

patents stripe