CID 15104448

98997-74-1

Structural Information

Molecular Formula

C₈H₁₆ClNO

SMILES

C1COCCN1CCCCCl

InChI

InChI=1S/C8H16ClNO/c9-3-1-2-4-10-5-7-11-8-6-10/h1-8H2

InChIKey

FHCMUEDZFICVEZ-UHFFFAOYSA-N

Compound name

4-(4-chlorobutyl)morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 79
Patents: 177.09204 Da
Monoisotopic Mass: 1.2
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]+	178.099316	139.0
[M+Na]+	200.081258	144.3
[M-H]-	176.084764	140.3
[M+NH4]+	195.125863	157.0
[M+K]+	216.055198	142.8
[M+H-H2O]+	160.089300	132.8
[M+HCOO]-	222.090241	152.8
[M+CH3COO]-	236.105891	177.9
[M+Na-2H]-	198.066706	145.0
[M]+	177.09149142	138.4
[M]-	177.09258858	138.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe