CID 21648486

133674-44-9

Structural Information

Molecular Formula
C7H7NO5
SMILES
CCOC(=O)C1=NOC(=C1)C(=O)O
InChI
InChI=1S/C7H7NO5/c1-2-12-7(11)4-3-5(6(9)10)13-8-4/h3H,2H2,1H3,(H,9,10)
InChIKey
YICMWFKVBQBQDL-UHFFFAOYSA-N
Compound name
3-ethoxycarbonyl-1,2-oxazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

185.03242 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.039696 134.1
[M+Na]+ 208.021638 142.6
[M-H]- 184.025144 136.3
[M+NH4]+ 203.066243 152.2
[M+K]+ 223.995578 143.6
[M+H-H2O]+ 168.029680 128.3
[M+HCOO]- 230.030621 155.9
[M+CH3COO]- 244.046271 176.2
[M+Na-2H]- 206.007086 138.5
[M]+ 185.03187142 138.0
[M]- 185.03296858 138.0
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

patents stripe