CID 690083

89875-37-6

Structural Information

Molecular Formula

C₁₀H₁₁NO₂

SMILES

COC(=O)N1CCC2=CC=CC=C21

InChI

InChI=1S/C10H11NO2/c1-13-10(12)11-7-6-8-4-2-3-5-9(8)11/h2-5H,6-7H2,1H3

InChIKey

FAXJQPQXTRSDGW-UHFFFAOYSA-N

Compound name

methyl 2,3-dihydroindole-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 72
Patents: 177.07898 Da
Monoisotopic Mass: 1.7
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]+	178.08626	137.1
[M+Na]+	200.06820	148.9
[M+NH4]+	195.11280	145.8
[M+K]+	216.04214	144.7
[M-H]-	176.07170	138.3
[M+Na-2H]-	198.05365	142.2
[M]+	177.07843	138.9
[M]-	177.07953	138.9

Literature stripe

literature stripe

Patent stripe

patents stripe