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: 75
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]+	178.086256	136.7
[M+Na]+	200.068198	145.1
[M-H]-	176.071704	140.1
[M+NH4]+	195.112803	158.6
[M+K]+	216.042138	143.4
[M+H-H2O]+	160.076240	130.6
[M+HCOO]-	222.077181	158.6
[M+CH3COO]-	236.092831	178.5
[M+Na-2H]-	198.053646	142.2
[M]+	177.07843142	137.4
[M]-	177.07952858	137.4

Literature stripe

literature stripe

Patent stripe

patents stripe