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	149.9
[M+Na]+	245.08967	158.4
[M+NH4]+	240.13427	156.2
[M+K]+	261.06361	155.3
[M-H]-	221.09317	151.1
[M+Na-2H]-	243.07512	154.5
[M]+	222.09990	151.0
[M]-	222.10100	151.0

Literature stripe

literature stripe

Patent stripe

patents stripe