CID 133238

Cui xing an

Structural Information

Molecular Formula

C₁₃H₂₀N₂O₃

SMILES

CN(C)CCOC1=CC(=CC=C1)OC(=O)N(C)C

InChI

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

InChIKey

KEQGIRWMQGDVQW-UHFFFAOYSA-N

Compound name

[3-[2-(dimethylamino)ethoxy]phenyl] N,N-dimethylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 9
Patents: 252.1474 Da
Monoisotopic Mass: 1.6
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]+	253.154676	159.2
[M+Na]+	275.136618	164.4
[M-H]-	251.140124	165.4
[M+NH4]+	270.181223	177.1
[M+K]+	291.110558	165.8
[M+H-H2O]+	235.144660	151.4
[M+HCOO]-	297.145601	185.4
[M+CH3COO]-	311.161251	206.1
[M+Na-2H]-	273.122066	162.4
[M]+	252.14685142	164.8
[M]-	252.14794858	164.8

Literature stripe

literature stripe

Patent stripe

patents stripe