CID 129309

Scs 289

Structural Information

Molecular Formula

C₁₁H₁₄N₂O₃

SMILES

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

InChI

InChI=1S/C11H14N2O3/c1-8(2)16-11(15)13(10(12)14)9-6-4-3-5-7-9/h3-8H,1-2H3,(H2,12,14)

InChIKey

PJDBUJKWAAGPHW-UHFFFAOYSA-N

Compound name

propan-2-yl N-carbamoyl-N-phenylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
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	150.3
[M+Na]+	245.08967	155.1
[M-H]-	221.09317	154.7
[M+NH4]+	240.13427	168.0
[M+K]+	261.06361	155.7
[M+H-H2O]+	205.09771	143.2
[M+HCOO]-	267.09865	174.2
[M+CH3COO]-	281.11430	195.1
[M+Na-2H]-	243.07512	152.4
[M]+	222.09990	150.4
[M]-	222.10100	150.4

Literature stripe

literature stripe

Patent stripe

patents stripe