CID 23371992

Chloromethyl morpholine-4-carboxylate

Structural Information

Molecular Formula

C₆H₁₀ClNO₃

SMILES

C1COCCN1C(=O)OCCl

InChI

InChI=1S/C6H10ClNO3/c7-5-11-6(9)8-1-3-10-4-2-8/h1-5H2

InChIKey

LHXLWSDJXYETLZ-UHFFFAOYSA-N

Compound name

chloromethyl morpholine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 89
Patents: 179.03493 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]+	180.042206	134.1
[M+Na]+	202.024148	140.5
[M-H]-	178.027654	136.2
[M+NH4]+	197.068753	152.0
[M+K]+	217.998088	140.4
[M+H-H2O]+	162.032190	128.4
[M+HCOO]-	224.033131	148.4
[M+CH3COO]-	238.048781	174.5
[M+Na-2H]-	200.009596	140.2
[M]+	179.03438142	134.4
[M]-	179.03547858	134.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe