CID 50037

68097-48-3

Structural Information

Molecular Formula

C₁₂H₁₈N₂O₃

SMILES

CN(C)CCOC(=O)NC1=CC=C(C=C1)OC

InChI

InChI=1S/C12H18N2O3/c1-14(2)8-9-17-12(15)13-10-4-6-11(16-3)7-5-10/h4-7H,8-9H2,1-3H3,(H,13,15)

InChIKey

KLVQZOFHWMAXHY-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 238.13174 Da
Monoisotopic Mass: 1.5
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]+	239.13902	154.7
[M+Na]+	261.12096	164.4
[M+NH4]+	256.16556	161.5
[M+K]+	277.09490	159.3
[M-H]-	237.12446	156.8
[M+Na-2H]-	259.10641	160.2
[M]+	238.13119	156.4
[M]-	238.13229	156.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.