CID 2799417

104149-61-3

Structural Information

Molecular Formula
C8H9NO4
SMILES
CC1=C(C(=NO1)C(=O)OC)C(=O)C
InChI
InChI=1S/C8H9NO4/c1-4(10)6-5(2)13-9-7(6)8(11)12-3/h1-3H3
InChIKey
PSCGIMFQGZJVFT-UHFFFAOYSA-N
Compound name
methyl 4-acetyl-5-methyl-1,2-oxazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.05316 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.06044 136.7
[M+Na]+ 206.04238 147.2
[M+NH4]+ 201.08698 142.7
[M+K]+ 222.01632 146.2
[M-H]- 182.04588 136.7
[M+Na-2H]- 204.02783 139.6
[M]+ 183.05261 137.9
[M]- 183.05371 137.9
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

No patent data available for this compound.