CID 12730640

4075-55-2

Structural Information

Molecular Formula

SMILES

CCOC1=NCCO1

InChI

InChI=1S/C5H9NO2/c1-2-7-5-6-3-4-8-5/h2-4H2,1H3

InChIKey

MTYHIWQZNFDCJT-UHFFFAOYSA-N

Compound name

2-ethoxy-4,5-dihydro-1,3-oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 327
Patents: 115.06333 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]+	116.070606	119.9
[M+Na]+	138.052548	127.9
[M-H]-	114.056054	122.7
[M+NH4]+	133.097153	141.7
[M+K]+	154.026488	129.5
[M+H-H2O]+	98.060590	114.2
[M+HCOO]-	160.061531	143.3
[M+CH3COO]-	174.077181	165.6
[M+Na-2H]-	136.037996	127.8
[M]+	115.06278142	121.5
[M]-	115.06387858	121.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe