CID 15643256

161126-53-0

Structural Information

Molecular Formula
C7H7NO4
SMILES
CC1=NOC(=C1C=O)C(=O)OC
InChI
InChI=1S/C7H7NO4/c1-4-5(3-9)6(12-8-4)7(10)11-2/h3H,1-2H3
InChIKey
OZXPIMOUVJSMKM-UHFFFAOYSA-N
Compound name
methyl 4-formyl-3-methyl-1,2-oxazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.0375 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.04478 129.6
[M+Na]+ 192.02672 139.9
[M-H]- 168.03022 133.5
[M+NH4]+ 187.07132 149.6
[M+K]+ 208.00066 140.9
[M+H-H2O]+ 152.03476 124.1
[M+HCOO]- 214.03570 153.7
[M+CH3COO]- 228.05135 176.9
[M+Na-2H]- 190.01217 135.1
[M]+ 169.03695 135.1
[M]- 169.03805 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.