CID 14072919

1h-indole-7-carboxylic acid,2,3-dihydro-,methyl ester

Structural Information

Molecular Formula

C₁₀H₁₁NO₂

SMILES

COC(=O)C1=CC=CC2=C1NCC2

InChI

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

InChIKey

IMJZMELPOAMWJA-UHFFFAOYSA-N

Compound name

methyl 2,3-dihydro-1H-indole-7-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 62
Patents: 177.07898 Da
Monoisotopic Mass: 1.8
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	137.1
[M+Na]+	200.068198	144.9
[M-H]-	176.071704	139.0
[M+NH4]+	195.112803	158.1
[M+K]+	216.042138	142.3
[M+H-H2O]+	160.076240	131.2
[M+HCOO]-	222.077181	157.4
[M+CH3COO]-	236.092831	176.6
[M+Na-2H]-	198.053646	142.1
[M]+	177.07843142	135.9
[M]-	177.07952858	135.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe