CID 11040700

3-cyclopropyl-4,5-dihydro-1,2-oxazol-5-one

Structural Information

Molecular Formula

SMILES

C1CC1C2=NOC(=O)C2

InChI

InChI=1S/C6H7NO2/c8-6-3-5(7-9-6)4-1-2-4/h4H,1-3H2

InChIKey

ZQNWHKVSUWIRPR-UHFFFAOYSA-N

Compound name

3-cyclopropyl-4H-1,2-oxazol-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 125.047676 Da
Monoisotopic Mass: 0.6
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]+	126.05495	126.3
[M+Na]+	148.03689	139.2
[M+NH4]+	143.08150	135.3
[M+K]+	164.01083	137.2
[M-H]-	124.04040	136.1
[M+Na-2H]-	146.02234	134.4
[M]+	125.04713	131.9
[M]-	125.04822	131.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe