CID 12968974

224441-73-0

Structural Information

Molecular Formula

C₈H₁₂ClNO

SMILES

CC(C)(C)C1=CN=C(O1)CCl

InChI

InChI=1S/C8H12ClNO/c1-8(2,3)6-5-10-7(4-9)11-6/h5H,4H2,1-3H3

InChIKey

LUGZUJZYTRPEDY-UHFFFAOYSA-N

Compound name

5-tert-butyl-2-(chloromethyl)-1,3-oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 124
Patents: 173.06075 Da
Monoisotopic Mass: 2.5
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]+	174.06803	135.2
[M+Na]+	196.04997	147.9
[M+NH4]+	191.09457	143.8
[M+K]+	212.02391	143.9
[M-H]-	172.05347	137.1
[M+Na-2H]-	194.03542	140.7
[M]+	173.06020	137.9
[M]-	173.06130	137.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe