CID 165484900

Ethyl 5-(hydroxymethyl)-1,2,4-oxadiazole-3-carboxylate

Structural Information

Molecular Formula
C6H8N2O4
SMILES
CCOC(=O)C1=NOC(=N1)CO
InChI
InChI=1S/C6H8N2O4/c1-2-11-6(10)5-7-4(3-9)12-8-5/h9H,2-3H2,1H3
InChIKey
CZOIUYFVFAURMJ-UHFFFAOYSA-N
Compound name
ethyl 5-(hydroxymethyl)-1,2,4-oxadiazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.0484 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.055676 132.1
[M+Na]+ 195.037618 141.1
[M-H]- 171.041124 132.8
[M+NH4]+ 190.082223 149.6
[M+K]+ 211.011558 141.9
[M+H-H2O]+ 155.045660 125.5
[M+HCOO]- 217.046601 153.5
[M+CH3COO]- 231.062251 173.7
[M+Na-2H]- 193.023066 138.0
[M]+ 172.04785142 136.1
[M]- 172.04894858 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

No patent data available for this compound.