CID 4962364

668980-81-2

Structural Information

Molecular Formula

C₉H₁₃ClN₂O₂

SMILES

CC(C)(C)C1=NOC(=C1)NC(=O)CCl

InChI

InChI=1S/C9H13ClN2O2/c1-9(2,3)6-4-8(14-12-6)11-7(13)5-10/h4H,5H2,1-3H3,(H,11,13)

InChIKey

MLGBUUNDROWYJV-UHFFFAOYSA-N

Compound name

N-(3-tert-butyl-1,2-oxazol-5-yl)-2-chloroacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 216.06656 Da
Monoisotopic Mass: 2.2
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]+	217.07384	146.7
[M+Na]+	239.05578	157.0
[M+NH4]+	234.10038	153.5
[M+K]+	255.02972	154.5
[M-H]-	215.05928	147.7
[M+Na-2H]-	237.04123	150.6
[M]+	216.06601	148.5
[M]-	216.06711	148.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe