CID 22647202

Methyl oxazole-4-carboxylate

Structural Information

Molecular Formula
C5H5NO3
SMILES
COC(=O)C1=COC=N1
InChI
InChI=1S/C5H5NO3/c1-8-5(7)4-2-9-3-6-4/h2-3H,1H3
InChIKey
JZSAEGOONAZWSA-UHFFFAOYSA-N
Compound name
methyl 1,3-oxazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

260
Patents

127.02694 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.03422 120.1
[M+Na]+ 150.01616 129.2
[M-H]- 126.01966 123.4
[M+NH4]+ 145.06076 141.3
[M+K]+ 165.99010 130.8
[M+H-H2O]+ 110.02420 114.4
[M+HCOO]- 172.02514 144.4
[M+CH3COO]- 186.04079 167.2
[M+Na-2H]- 148.00161 127.8
[M]+ 127.02639 123.2
[M]- 127.02749 123.2
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