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]+ 184.060436 134.5
[M+Na]+ 206.042378 144.1
[M-H]- 182.045884 138.3
[M+NH4]+ 201.086983 153.9
[M+K]+ 222.016318 145.3
[M+H-H2O]+ 166.050420 129.0
[M+HCOO]- 228.051361 157.3
[M+CH3COO]- 242.067011 180.8
[M+Na-2H]- 204.027826 138.3
[M]+ 183.05261142 139.7
[M]- 183.05370858 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.