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]+	126.054952	124.3
[M+Na]+	148.036894	135.1
[M-H]-	124.040400	131.5
[M+NH4]+	143.081499	140.8
[M+K]+	164.010834	134.3
[M+H-H2O]+	108.044936	117.9
[M+HCOO]-	170.045877	147.5
[M+CH3COO]-	184.061527	172.0
[M+Na-2H]-	146.022342	131.1
[M]+	125.04712742	127.1
[M]-	125.04822458	127.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe