CID 21650900

2-isopropyloxazole

Structural Information

Molecular Formula

SMILES

CC(C)C1=NC=CO1

InChI

InChI=1S/C6H9NO/c1-5(2)6-7-3-4-8-6/h3-5H,1-2H3

InChIKey

LCIOLMRKUOHMSW-UHFFFAOYSA-N

Compound name

2-propan-2-yl-1,3-oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1251
Patents: 111.06841 Da
Monoisotopic Mass: 1.5
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]+	112.07569	120.3
[M+Na]+	134.05763	132.2
[M+NH4]+	129.10223	129.1
[M+K]+	150.03157	129.0
[M-H]-	110.06113	122.7
[M+Na-2H]-	132.04308	126.3
[M]+	111.06786	122.6
[M]-	111.06896	122.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe