CID 43610031

2-chloro-n-(oxan-4-yl)acetamide

Structural Information

Molecular Formula

C₇H₁₂ClNO₂

SMILES

C1COCCC1NC(=O)CCl

InChI

InChI=1S/C7H12ClNO2/c8-5-7(10)9-6-1-3-11-4-2-6/h6H,1-5H2,(H,9,10)

InChIKey

JIJDOHAQHVHRRB-UHFFFAOYSA-N

Compound name

2-chloro-N-(oxan-4-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 177.05565 Da
Monoisotopic Mass: 0.6
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]+	178.062926	137.1
[M+Na]+	200.044868	142.2
[M-H]-	176.048374	140.3
[M+NH4]+	195.089473	156.0
[M+K]+	216.018808	141.1
[M+H-H2O]+	160.052910	132.1
[M+HCOO]-	222.053851	153.1
[M+CH3COO]-	236.069501	178.3
[M+Na-2H]-	198.030316	142.8
[M]+	177.05510142	135.2
[M]-	177.05619858	135.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe