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

64
Patents

127.02694 Da
Monoisotopic Mass

0.6
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

No literature data available for this compound.

Patent stripe

patents stripe