CID 95834

4-(3-chloropropyl)morpholine

Structural Information

Molecular Formula

C₇H₁₄ClNO

SMILES

C1COCCN1CCCCl

InChI

InChI=1S/C7H14ClNO/c8-2-1-3-9-4-6-10-7-5-9/h1-7H2

InChIKey

PIAZYBLGBSMNLX-UHFFFAOYSA-N

Compound name

4-(3-chloropropyl)morpholine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 2862
Patents: 163.07639 Da
Monoisotopic Mass: 0.8
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]+	164.083666	134.3
[M+Na]+	186.065608	140.1
[M-H]-	162.069114	135.9
[M+NH4]+	181.110213	152.9
[M+K]+	202.039548	138.9
[M+H-H2O]+	146.073650	128.4
[M+HCOO]-	208.074591	148.4
[M+CH3COO]-	222.090241	174.9
[M+Na-2H]-	184.051056	140.9
[M]+	163.07584142	133.4
[M]-	163.07693858	133.4

Literature stripe

literature stripe

Patent stripe

patents stripe