CID 10964603

Ethyl 1,3-oxazole-5-carboxylate

Structural Information

Molecular Formula
C6H7NO3
SMILES
CCOC(=O)C1=CN=CO1
InChI
InChI=1S/C6H7NO3/c1-2-9-6(8)5-3-7-4-10-5/h3-4H,2H2,1H3
InChIKey
KRMORCCAHXFIHF-UHFFFAOYSA-N
Compound name
ethyl 1,3-oxazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

436
Patents

141.04259 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.04987 124.9
[M+Na]+ 164.03181 133.5
[M-H]- 140.03531 128.1
[M+NH4]+ 159.07641 145.5
[M+K]+ 180.00575 134.9
[M+H-H2O]+ 124.03985 119.0
[M+HCOO]- 186.04079 148.8
[M+CH3COO]- 200.05644 170.3
[M+Na-2H]- 162.01726 132.0
[M]+ 141.04204 128.4
[M]- 141.04314 128.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe