CID 14732444

87318-62-5

Structural Information

Molecular Formula
C6H7NO4
SMILES
COC(=O)CC1=CC(=O)NO1
InChI
InChI=1S/C6H7NO4/c1-10-6(9)3-4-2-5(8)7-11-4/h2H,3H2,1H3,(H,7,8)
InChIKey
RNNMVKUQSARIFE-UHFFFAOYSA-N
Compound name
methyl 2-(3-oxo-1,2-oxazol-5-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.0375 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.04478 127.1
[M+Na]+ 180.02672 136.4
[M-H]- 156.03022 129.2
[M+NH4]+ 175.07132 146.5
[M+K]+ 196.00066 136.6
[M+H-H2O]+ 140.03476 121.5
[M+HCOO]- 202.03570 149.9
[M+CH3COO]- 216.05135 170.1
[M+Na-2H]- 178.01217 133.1
[M]+ 157.03695 129.8
[M]- 157.03805 129.8
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.