CID 2804070

Ns00016262

Structural Information

Molecular Formula

C₁₀H₁₁ClN₂O₃

SMILES

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

InChI

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

InChIKey

BEHSINYQCBMNSX-UHFFFAOYSA-N

Compound name

[[amino-(4-chlorophenyl)methylidene]amino] ethyl carbonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 242.04582 Da
Monoisotopic Mass: 2.6
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	150.9
[M+Na]+	265.035038	158.4
[M-H]-	241.038544	155.6
[M+NH4]+	260.079643	169.2
[M+K]+	281.008978	156.1
[M+H-H2O]+	225.043080	145.0
[M+HCOO]-	287.044021	172.7
[M+CH3COO]-	301.059671	195.2
[M+Na-2H]-	263.020486	154.9
[M]+	242.04527142	154.5
[M]-	242.04636858	154.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.