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

49
Patents

185.03242 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.03970 134.1
[M+Na]+ 208.02164 142.6
[M-H]- 184.02514 136.3
[M+NH4]+ 203.06624 152.2
[M+K]+ 223.99558 143.6
[M+H-H2O]+ 168.02968 128.3
[M+HCOO]- 230.03062 155.9
[M+CH3COO]- 244.04627 176.2
[M+Na-2H]- 206.00709 138.5
[M]+ 185.03187 138.0
[M]- 185.03297 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