CID 9570419

25561-41-5

Structural Information

Molecular Formula

C₁₂H₁₃ClN₂O₂

SMILES

C1COCCN1/N=C/C(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C12H13ClN2O2/c13-11-3-1-10(2-4-11)12(16)9-14-15-5-7-17-8-6-15/h1-4,9H,5-8H2/b14-9+

InChIKey

FFLPYDKLMZFJEF-NTEUORMPSA-N

Compound name

(2E)-1-(4-chlorophenyl)-2-morpholin-4-yliminoethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 252.06656 Da
Monoisotopic Mass: 2.3
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]+	253.073836	155.4
[M+Na]+	275.055778	161.4
[M-H]-	251.059284	161.7
[M+NH4]+	270.100383	170.4
[M+K]+	291.029718	158.8
[M+H-H2O]+	235.063820	147.3
[M+HCOO]-	297.064761	171.6
[M+CH3COO]-	311.080411	194.6
[M+Na-2H]-	273.041226	160.7
[M]+	252.06601142	155.0
[M]-	252.06710858	155.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.