CID 11816349

2126162-00-1

Structural Information

Molecular Formula

C₁₁H₁₃NO₂

SMILES

COC(=O)CC1CNC2=CC=CC=C12

InChI

InChI=1S/C11H13NO2/c1-14-11(13)6-8-7-12-10-5-3-2-4-9(8)10/h2-5,8,12H,6-7H2,1H3

InChIKey

VWTSSZDILHAHFN-UHFFFAOYSA-N

Compound name

methyl 2-(2,3-dihydro-1H-indol-3-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 191.09464 Da
Monoisotopic Mass: 1.6
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]+	192.10192	141.9
[M+Na]+	214.08386	152.9
[M+NH4]+	209.12846	150.1
[M+K]+	230.05780	148.8
[M-H]-	190.08736	142.5
[M+Na-2H]-	212.06931	146.2
[M]+	191.09409	143.4
[M]-	191.09519	143.4

Literature stripe

literature stripe

Patent stripe

patents stripe