CID 532064

39089-62-8

Structural Information

Molecular Formula

C₇H₁₂ClNO₂

SMILES

C1CC(OC1)CNC(=O)CCl

InChI

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

InChIKey

OINOJHHVQJESIB-UHFFFAOYSA-N

Compound name

2-chloro-N-(oxolan-2-ylmethyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 18
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]+	178.06293	136.5
[M+Na]+	200.04487	145.7
[M+NH4]+	195.08947	144.7
[M+K]+	216.01881	142.3
[M-H]-	176.04837	138.7
[M+Na-2H]-	198.03032	140.0
[M]+	177.05510	138.4
[M]-	177.05620	138.4

Literature stripe

literature stripe

Patent stripe

patents stripe