CID 11030625

82923-81-7

Structural Information

Molecular Formula

C₁₁H₁₃NO₂

SMILES

CCOC(=O)[C@@H]1CC2=CC=CC=C2N1

InChI

InChI=1S/C11H13NO2/c1-2-14-11(13)10-7-8-5-3-4-6-9(8)12-10/h3-6,10,12H,2,7H2,1H3/t10-/m0/s1

InChIKey

KISPUTPAKVZNBI-JTQLQIEISA-N

Compound name

ethyl (2S)-2,3-dihydro-1H-indole-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 261
Patents: 191.09464 Da
Monoisotopic Mass: 2.3
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	141.8
[M+Na]+	214.08386	149.2
[M-H]-	190.08736	143.5
[M+NH4]+	209.12846	162.2
[M+K]+	230.05780	146.3
[M+H-H2O]+	174.09190	135.7
[M+HCOO]-	236.09284	161.8
[M+CH3COO]-	250.10849	179.6
[M+Na-2H]-	212.06931	146.2
[M]+	191.09409	141.0
[M]-	191.09519	141.0

Literature stripe

literature stripe

Patent stripe

patents stripe