CID 15287401

4-(2-chloroethyl)morpholin-3-one

Structural Information

Molecular Formula
C6H10ClNO2
SMILES
C1COCC(=O)N1CCCl
InChI
InChI=1S/C6H10ClNO2/c7-1-2-8-3-4-10-5-6(8)9/h1-5H2
InChIKey
RZXPWTTVDMZISW-UHFFFAOYSA-N
Compound name
4-(2-chloroethyl)morpholin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

163.04001 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.047286 130.9
[M+Na]+ 186.029228 138.4
[M-H]- 162.032734 133.1
[M+NH4]+ 181.073833 149.7
[M+K]+ 202.003168 137.3
[M+H-H2O]+ 146.037270 125.5
[M+HCOO]- 208.038211 145.8
[M+CH3COO]- 222.053861 174.1
[M+Na-2H]- 184.014676 137.4
[M]+ 163.03946142 130.8
[M]- 163.04055858 130.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe