CID 692386

4-(4-chlorocinnamoyl)morpholine

Structural Information

Molecular Formula

C₁₃H₁₄ClNO₂

SMILES

C1COCCN1C(=O)/C=C/C2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H14ClNO2/c14-12-4-1-11(2-5-12)3-6-13(16)15-7-9-17-10-8-15/h1-6H,7-10H2/b6-3+

InChIKey

ZJPKEPANXMIBBZ-ZZXKWVIFSA-N

Compound name

(E)-3-(4-chlorophenyl)-1-morpholin-4-ylprop-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 3
Patents: 251.0713 Da
Monoisotopic Mass: 2.1
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]+	252.078576	155.8
[M+Na]+	274.060518	161.9
[M-H]-	250.064024	160.6
[M+NH4]+	269.105123	170.6
[M+K]+	290.034458	158.2
[M+H-H2O]+	234.068560	148.2
[M+HCOO]-	296.069501	169.1
[M+CH3COO]-	310.085151	189.5
[M+Na-2H]-	272.045966	159.7
[M]+	251.07075142	154.4
[M]-	251.07184858	154.4

Literature stripe

literature stripe

Patent stripe

patents stripe