CID 28770

Stauffer r 11520

Structural Information

Molecular Formula

C₁₁H₁₄N₂O₃

SMILES

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

InChI

InChI=1S/C11H14N2O3/c1-3-10(14)13-8-5-4-6-9(7-8)16-11(15)12-2/h4-7H,3H2,1-2H3,(H,12,15)(H,13,14)

InChIKey

NMYKXXMNAUVYBV-UHFFFAOYSA-N

Compound name

[3-(propanoylamino)phenyl] N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 222.10045 Da
Monoisotopic Mass: 1.3
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]+	223.10773	149.1
[M+Na]+	245.08967	154.9
[M-H]-	221.09317	152.8
[M+NH4]+	240.13427	166.8
[M+K]+	261.06361	153.9
[M+H-H2O]+	205.09771	142.2
[M+HCOO]-	267.09865	174.2
[M+CH3COO]-	281.11430	192.5
[M+Na-2H]-	243.07512	153.6
[M]+	222.09990	150.0
[M]-	222.10100	150.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe