CID 50041

68097-50-7

Structural Information

Molecular Formula

C₁₃H₂₀N₂O₃

SMILES

CCOC1=CC=C(C=C1)NC(=O)OCCN(C)C

InChI

InChI=1S/C13H20N2O3/c1-4-17-12-7-5-11(6-8-12)14-13(16)18-10-9-15(2)3/h5-8H,4,9-10H2,1-3H3,(H,14,16)

InChIKey

ADPYAJIINBWVIL-UHFFFAOYSA-N

Compound name

2-(dimethylamino)ethyl N-(4-ethoxyphenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 252.1474 Da
Monoisotopic Mass: 2.1
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]+	253.15468	159.1
[M+Na]+	275.13662	164.1
[M-H]-	251.14012	163.8
[M+NH4]+	270.18122	176.3
[M+K]+	291.11056	164.1
[M+H-H2O]+	235.14466	151.4
[M+HCOO]-	297.14560	184.8
[M+CH3COO]-	311.16125	202.6
[M+Na-2H]-	273.12207	163.0
[M]+	252.14685	163.4
[M]-	252.14795	163.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.