CID 230720

Ethyl n-(4-ethoxyphenyl)carbamate

Structural Information

Molecular Formula

C₁₁H₁₅NO₃

SMILES

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

InChI

InChI=1S/C11H15NO3/c1-3-14-10-7-5-9(6-8-10)12-11(13)15-4-2/h5-8H,3-4H2,1-2H3,(H,12,13)

InChIKey

RTAWHUYTVOWYLU-UHFFFAOYSA-N

Compound name

ethyl N-(4-ethoxyphenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 209.1052 Da
Monoisotopic Mass: 2.5
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]+	210.112476	145.8
[M+Na]+	232.094418	152.4
[M-H]-	208.097924	149.4
[M+NH4]+	227.139023	164.5
[M+K]+	248.068358	151.5
[M+H-H2O]+	192.102460	139.2
[M+HCOO]-	254.103401	170.7
[M+CH3COO]-	268.119051	188.1
[M+Na-2H]-	230.079866	151.3
[M]+	209.10465142	148.9
[M]-	209.10574858	148.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe