CID 42082

Scs 100

Structural Information

Molecular Formula

C₁₀H₁₁ClN₂O₃

SMILES

CCOC(=O)N(C1=CC=CC=C1Cl)C(=O)N

InChI

InChI=1S/C10H11ClN2O3/c1-2-16-10(15)13(9(12)14)8-6-4-3-5-7(8)11/h3-6H,2H2,1H3,(H2,12,14)

InChIKey

DIPOJLBMCDRHCA-UHFFFAOYSA-N

Compound name

ethyl N-carbamoyl-N-(2-chlorophenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 9
Patents: 242.04582 Da
Monoisotopic Mass: 2.4
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]+	243.053096	151.0
[M+Na]+	265.035038	158.3
[M-H]-	241.038544	155.8
[M+NH4]+	260.079643	169.2
[M+K]+	281.008978	156.5
[M+H-H2O]+	225.043080	145.2
[M+HCOO]-	287.044021	171.9
[M+CH3COO]-	301.059671	196.1
[M+Na-2H]-	263.020486	153.8
[M]+	242.04527142	154.0
[M]-	242.04636858	154.0

Literature stripe

literature stripe

Patent stripe

patents stripe