CID 2794655

Methyl indoline-2-carboxylate

Structural Information

Molecular Formula

C₁₀H₁₁NO₂

SMILES

COC(=O)C1CC2=CC=CC=C2N1

InChI

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

InChIKey

URORFKDEPJFPOV-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 309
Patents: 177.07898 Da
Monoisotopic Mass: 1.9
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	137.4
[M+Na]+	200.06820	148.6
[M+NH4]+	195.11280	145.7
[M+K]+	216.04214	144.7
[M-H]-	176.07170	138.0
[M+Na-2H]-	198.05365	141.9
[M]+	177.07843	138.9
[M]-	177.07953	138.9

Literature stripe

literature stripe

Patent stripe

patents stripe