CID 71434463

102074-57-7

Structural Information

Molecular Formula

SMILES

CC1=C(ON=C1C(=O)C)C

InChI

InChI=1S/C7H9NO2/c1-4-6(3)10-8-7(4)5(2)9/h1-3H3

InChIKey

BBSHYLHPAYPTMB-UHFFFAOYSA-N

Compound name

1-(4,5-dimethyl-1,2-oxazol-3-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 139.06332 Da
Monoisotopic Mass: 1.2
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]+	140.070596	125.1
[M+Na]+	162.052538	135.2
[M-H]-	138.056044	128.9
[M+NH4]+	157.097143	146.5
[M+K]+	178.026478	135.8
[M+H-H2O]+	122.060580	119.9
[M+HCOO]-	184.061521	148.5
[M+CH3COO]-	198.077171	174.2
[M+Na-2H]-	160.037986	130.4
[M]+	139.06277142	128.4
[M]-	139.06386858	128.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe