CID 12265786

5-ethoxy-2-methyl-1,3-oxazole-4-carboxylic acid

Structural Information

Molecular Formula
C7H9NO4
SMILES
CCOC1=C(N=C(O1)C)C(=O)O
InChI
InChI=1S/C7H9NO4/c1-3-11-7-5(6(9)10)8-4(2)12-7/h3H2,1-2H3,(H,9,10)
InChIKey
HHTFVMCJEPXTAQ-UHFFFAOYSA-N
Compound name
5-ethoxy-2-methyl-1,3-oxazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

171.05316 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.06044 131.8
[M+Na]+ 194.04238 141.2
[M-H]- 170.04588 134.1
[M+NH4]+ 189.08698 151.0
[M+K]+ 210.01632 141.8
[M+H-H2O]+ 154.05042 126.3
[M+HCOO]- 216.05136 154.1
[M+CH3COO]- 230.06701 175.8
[M+Na-2H]- 192.02783 136.7
[M]+ 171.05261 136.1
[M]- 171.05371 136.1
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

patents stripe