CID 178244157

4-ethyl-3-oxido-4,5-dihydro-1,3-oxazol-3-ium

Structural Information

Molecular Formula
C5H9NO2
SMILES
CCC1COC=[N+]1[O-]
InChI
InChI=1S/C5H9NO2/c1-2-5-3-8-4-6(5)7/h4-5H,2-3H2,1H3
InChIKey
FIVJSWLYTYTUCA-UHFFFAOYSA-N
Compound name
4-ethyl-3-oxido-4,5-dihydro-1,3-oxazol-3-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

115.06333 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.070606 121.1
[M+Na]+ 138.052548 129.6
[M-H]- 114.056054 123.0
[M+NH4]+ 133.097153 142.2
[M+K]+ 154.026488 125.7
[M+H-H2O]+ 98.060590 120.9
[M+HCOO]- 160.061531 143.6
[M+CH3COO]- 174.077181 157.8
[M+Na-2H]- 136.037996 129.9
[M]+ 115.06278142 119.5
[M]- 115.06387858 119.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.