CID 26601

Stauffer r-10534

Structural Information

Molecular Formula

C₁₀H₁₂N₂O₃

SMILES

CC(=O)NC1=CC=C(C=C1)OC(=O)NC

InChI

InChI=1S/C10H12N2O3/c1-7(13)12-8-3-5-9(6-4-8)15-10(14)11-2/h3-6H,1-2H3,(H,11,14)(H,12,13)

InChIKey

FITDCWJIUQOUKB-UHFFFAOYSA-N

Compound name

(4-acetamidophenyl) N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 208.0848 Da
Monoisotopic Mass: 0.6
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]+	209.092076	144.5
[M+Na]+	231.074018	150.8
[M-H]-	207.077524	148.4
[M+NH4]+	226.118623	162.8
[M+K]+	247.047958	150.0
[M+H-H2O]+	191.082060	137.8
[M+HCOO]-	253.083001	169.9
[M+CH3COO]-	267.098651	189.5
[M+Na-2H]-	229.059466	149.5
[M]+	208.08425142	145.0
[M]-	208.08534858	145.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.