CID 848532

119647-73-3

Structural Information

Molecular Formula

C₁₁H₁₃NO₃

SMILES

CCOC(=O)C1=CC2=C(N1)C(=O)CCC2

InChI

InChI=1S/C11H13NO3/c1-2-15-11(14)8-6-7-4-3-5-9(13)10(7)12-8/h6,12H,2-5H2,1H3

InChIKey

FRUNPDDVIUSYEQ-UHFFFAOYSA-N

Compound name

ethyl 7-oxo-1,4,5,6-tetrahydroindole-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 79
Patents: 207.08954 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]+	208.096816	144.8
[M+Na]+	230.078758	152.2
[M-H]-	206.082264	146.4
[M+NH4]+	225.123363	164.6
[M+K]+	246.052698	149.5
[M+H-H2O]+	190.086800	138.9
[M+HCOO]-	252.087741	163.6
[M+CH3COO]-	266.103391	182.4
[M+Na-2H]-	228.064206	147.6
[M]+	207.08899142	143.7
[M]-	207.09008858	143.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe