CID 12730640

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

Structural Information

Molecular Formula
C5H9NO2
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

271
Patents

115.06333 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.07061 119.9
[M+Na]+ 138.05255 127.9
[M-H]- 114.05605 122.7
[M+NH4]+ 133.09715 141.7
[M+K]+ 154.02649 129.5
[M+H-H2O]+ 98.060590 114.2
[M+HCOO]- 160.06153 143.3
[M+CH3COO]- 174.07718 165.6
[M+Na-2H]- 136.03800 127.8
[M]+ 115.06278 121.5
[M]- 115.06388 121.5
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

patents stripe