CID 45117967

934172-40-4

Structural Information

Molecular Formula
C7H9NO3
SMILES
CC1=CC(=NO1)CC(=O)OC
InChI
InChI=1S/C7H9NO3/c1-5-3-6(8-11-5)4-7(9)10-2/h3H,4H2,1-2H3
InChIKey
BFEXHCWYSBOWEK-UHFFFAOYSA-N
Compound name
methyl 2-(5-methyl-1,2-oxazol-3-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

155.05824 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.06552 130.2
[M+Na]+ 178.04746 141.4
[M+NH4]+ 173.09206 137.4
[M+K]+ 194.02140 139.1
[M-H]- 154.05096 131.3
[M+Na-2H]- 176.03291 134.6
[M]+ 155.05769 131.9
[M]- 155.05879 131.9
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