CID 10822751

5100-58-3

Structural Information

Molecular Formula

C₁₃H₁₇NO₂

SMILES

CCOC(=O)CC1CCC2=CC=CC=C2N1

InChI

InChI=1S/C13H17NO2/c1-2-16-13(15)9-11-8-7-10-5-3-4-6-12(10)14-11/h3-6,11,14H,2,7-9H2,1H3

InChIKey

IYOKFCOGEPFIKG-UHFFFAOYSA-N

Compound name

ethyl 2-(1,2,3,4-tetrahydroquinolin-2-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 219.12593 Da
Monoisotopic Mass: 2.6
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]+	220.133206	150.0
[M+Na]+	242.115148	155.5
[M-H]-	218.118654	150.8
[M+NH4]+	237.159753	167.3
[M+K]+	258.089088	152.2
[M+H-H2O]+	202.123190	142.9
[M+HCOO]-	264.124131	167.0
[M+CH3COO]-	278.139781	186.1
[M+Na-2H]-	240.100596	154.9
[M]+	219.12538142	147.7
[M]-	219.12647858	147.7

Literature stripe

literature stripe

Patent stripe

patents stripe