CID 83642

13670-39-8

Structural Information

Molecular Formula

SMILES

CC(=O)CC1=NCCO1

InChI

InChI=1S/C6H9NO2/c1-5(8)4-6-7-2-3-9-6/h2-4H2,1H3

InChIKey

MZKKDCLSTQPJPX-UHFFFAOYSA-N

Compound name

1-(4,5-dihydro-1,3-oxazol-2-yl)propan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 127.06333 Da
Monoisotopic Mass: -0.3
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]+	128.07061	124.8
[M+Na]+	150.05255	135.3
[M+NH4]+	145.09715	132.6
[M+K]+	166.02649	132.7
[M-H]-	126.05605	126.1
[M+Na-2H]-	148.03800	129.1
[M]+	127.06278	126.4
[M]-	127.06388	126.4

Literature stripe

literature stripe

Patent stripe

patents stripe