CID 3044299

Scs 97

Structural Information

Molecular Formula

C₁₁H₁₄N₂O₃

SMILES

CCOC(=O)N(C1=CC=C(C=C1)C)C(=O)N

InChI

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

InChIKey

UFLRKWJTMZTORL-UHFFFAOYSA-N

Compound name

ethyl N-carbamoyl-N-(4-methylphenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 222.10045 Da
Monoisotopic Mass: 2.2
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	149.6
[M+Na]+	245.08967	155.6
[M-H]-	221.09317	154.3
[M+NH4]+	240.13427	167.7
[M+K]+	261.06361	155.7
[M+H-H2O]+	205.09771	142.6
[M+HCOO]-	267.09865	174.5
[M+CH3COO]-	281.11430	195.4
[M+Na-2H]-	243.07512	152.3
[M]+	222.09990	150.7
[M]-	222.10100	150.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe