CID 3039554

50786-85-1

Structural Information

Molecular Formula

C₇H₁₃Cl₂NO

SMILES

C1COCCN1CC(CCl)Cl

InChI

InChI=1S/C7H13Cl2NO/c8-5-7(9)6-10-1-3-11-4-2-10/h7H,1-6H2

InChIKey

DOCPGGHOKXWARI-UHFFFAOYSA-N

Compound name

4-(2,3-dichloropropyl)morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 197.03741 Da
Monoisotopic Mass: 1.1
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]+	198.04469	139.0
[M+Na]+	220.02663	151.3
[M+NH4]+	215.07123	148.0
[M+K]+	236.00057	144.6
[M-H]-	196.03013	141.5
[M+Na-2H]-	218.01208	144.0
[M]+	197.03686	142.0
[M]-	197.03796	142.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.