CID 84810

4-morpholinecarbonyl chloride

Structural Information

Molecular Formula

C₅H₈ClNO₂

SMILES

C1COCCN1C(=O)Cl

InChI

InChI=1S/C5H8ClNO2/c6-5(8)7-1-3-9-4-2-7/h1-4H2

InChIKey

XMWFMEYDRNJSOO-UHFFFAOYSA-N

Compound name

morpholine-4-carbonyl chloride

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 7533
Patents: 149.02435 Da
Monoisotopic Mass: 0.4
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]+	150.03163	126.8
[M+Na]+	172.01357	133.5
[M-H]-	148.01707	128.9
[M+NH4]+	167.05817	145.8
[M+K]+	187.98751	133.1
[M+H-H2O]+	132.02161	121.4
[M+HCOO]-	194.02255	141.1
[M+CH3COO]-	208.03820	170.1
[M+Na-2H]-	169.99902	133.3
[M]+	149.02380	125.3
[M]-	149.02490	125.3

Literature stripe

literature stripe

Patent stripe

patents stripe