CID 21349800

88511-37-9

Structural Information

Molecular Formula
C5H5NO2
SMILES
CC(=O)C1=NOC=C1
InChI
InChI=1S/C5H5NO2/c1-4(7)5-2-3-8-6-5/h2-3H,1H3
InChIKey
SKISYMYDQIWNBM-UHFFFAOYSA-N
Compound name
1-(1,2-oxazol-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

147
Patents

111.03203 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.039306 117.0
[M+Na]+ 134.021248 126.1
[M-H]- 110.024754 120.3
[M+NH4]+ 129.065853 138.9
[M+K]+ 149.995188 127.2
[M+H-H2O]+ 94.029290 111.5
[M+HCOO]- 156.030231 141.1
[M+CH3COO]- 170.045881 165.9
[M+Na-2H]- 132.006696 124.7
[M]+ 111.03148142 118.8
[M]- 111.03257858 118.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe