CID 2799417

Methyl 4-acetyl-5-methyl-1,2-oxazole-3-carboxylate

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 134.5
[M+Na]+ 206.04238 144.1
[M-H]- 182.04588 138.3
[M+NH4]+ 201.08698 153.9
[M+K]+ 222.01632 145.3
[M+H-H2O]+ 166.05042 129.0
[M+HCOO]- 228.05136 157.3
[M+CH3COO]- 242.06701 180.8
[M+Na-2H]- 204.02783 138.3
[M]+ 183.05261 139.7
[M]- 183.05371 139.7
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.