CID 76727

4-(2-chloroethyl)morpholine

Structural Information

Molecular Formula

C₆H₁₂ClNO

SMILES

C1COCCN1CCCl

InChI

InChI=1S/C6H12ClNO/c7-1-2-8-3-5-9-6-4-8/h1-6H2

InChIKey

ZAPMTSHEXFEPSD-UHFFFAOYSA-N

Compound name

4-(2-chloroethyl)morpholine

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 4
References: 11973
Patents: 149.06075 Da
Monoisotopic Mass: 0.5
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]+	150.068026	129.6
[M+Na]+	172.049968	135.9
[M-H]-	148.053474	131.4
[M+NH4]+	167.094573	148.8
[M+K]+	188.023908	134.9
[M+H-H2O]+	132.058010	124.0
[M+HCOO]-	194.058951	144.1
[M+CH3COO]-	208.074601	171.8
[M+Na-2H]-	170.035416	136.8
[M]+	149.06020142	128.4
[M]-	149.06129858	128.4

Literature stripe

literature stripe

Patent stripe

patents stripe