CID 13069248

79799-34-1

Structural Information

Molecular Formula

C₁₁H₁₉NO₂

SMILES

CCOC(=O)C1CC2CCCCC2N1

InChI

InChI=1S/C11H19NO2/c1-2-14-11(13)10-7-8-5-3-4-6-9(8)12-10/h8-10,12H,2-7H2,1H3

InChIKey

ULGUQTOELKSOAJ-UHFFFAOYSA-N

Compound name

ethyl 2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 71
Patents: 197.14159 Da
Monoisotopic Mass: 2.0
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]+	198.148866	147.3
[M+Na]+	220.130808	151.5
[M-H]-	196.134314	147.7
[M+NH4]+	215.175413	167.1
[M+K]+	236.104748	149.3
[M+H-H2O]+	180.138850	141.1
[M+HCOO]-	242.139791	162.8
[M+CH3COO]-	256.155441	180.7
[M+Na-2H]-	218.116256	148.6
[M]+	197.14104142	142.1
[M]-	197.14213858	142.1

Literature stripe

literature stripe

Patent stripe

patents stripe