CID 49853152

1142816-66-7

Structural Information

Molecular Formula

C₁₁H₁₃NO₃

SMILES

CCOC(=O)C1=CC2=C(N1)CCCC2=O

InChI

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

InChIKey

LIDPGDOLSVFKTR-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 207.08954 Da
Monoisotopic Mass: 1.4
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]+	208.09682	145.5
[M+Na]+	230.07876	155.5
[M+NH4]+	225.12336	152.7
[M+K]+	246.05270	152.2
[M-H]-	206.08226	145.2
[M+Na-2H]-	228.06421	148.0
[M]+	207.08899	146.4
[M]-	207.09009	146.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe