CID 20434963

25742-68-1

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

127.02694 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.034216 120.1
[M+Na]+ 150.016158 129.2
[M-H]- 126.019664 123.4
[M+NH4]+ 145.060763 141.3
[M+K]+ 165.990098 130.8
[M+H-H2O]+ 110.024200 114.4
[M+HCOO]- 172.025141 144.4
[M+CH3COO]- 186.040791 167.2
[M+Na-2H]- 148.001606 127.8
[M]+ 127.02639142 123.2
[M]- 127.02748858 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

No literature data available for this compound.

Patent stripe

patents stripe