CID 10654692

359689-20-6

Structural Information

Molecular Formula
C7H7NO4
SMILES
CC(=O)C1=NOC(=C1)C(=O)OC
InChI
InChI=1S/C7H7NO4/c1-4(9)5-3-6(12-8-5)7(10)11-2/h3H,1-2H3
InChIKey
UJHMNWHOSURUON-UHFFFAOYSA-N
Compound name
methyl 3-acetyl-1,2-oxazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.0375 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.044776 130.6
[M+Na]+ 192.026718 139.8
[M-H]- 168.030224 134.2
[M+NH4]+ 187.071323 150.3
[M+K]+ 208.000658 141.2
[M+H-H2O]+ 152.034760 124.9
[M+HCOO]- 214.035701 153.7
[M+CH3COO]- 228.051351 176.6
[M+Na-2H]- 190.012166 135.5
[M]+ 169.03695142 135.1
[M]- 169.03804858 135.1
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.