CID 2778360

69000-39-1

Structural Information

Molecular Formula

C₆H₇ClN₂O₂

SMILES

CC1=NOC(=C1)NC(=O)CCl

InChI

InChI=1S/C6H7ClN2O2/c1-4-2-6(11-9-4)8-5(10)3-7/h2H,3H2,1H3,(H,8,10)

InChIKey

XXWIBXGRFWHVCP-UHFFFAOYSA-N

Compound name

2-chloro-N-(3-methyl-1,2-oxazol-5-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 23
Patents: 174.0196 Da
Monoisotopic Mass: 0.9
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]+	175.02688	132.7
[M+Na]+	197.00882	144.0
[M+NH4]+	192.05342	140.3
[M+K]+	212.98276	140.9
[M-H]-	173.01232	134.4
[M+Na-2H]-	194.99427	137.5
[M]+	174.01905	134.8
[M]-	174.02015	134.8

Literature stripe

literature stripe

Patent stripe

patents stripe