CID 165484900

En300-1120387

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]+ 173.05568 132.1
[M+Na]+ 195.03762 141.1
[M-H]- 171.04112 132.8
[M+NH4]+ 190.08222 149.6
[M+K]+ 211.01156 141.9
[M+H-H2O]+ 155.04566 125.5
[M+HCOO]- 217.04660 153.5
[M+CH3COO]- 231.06225 173.7
[M+Na-2H]- 193.02307 138.0
[M]+ 172.04785 136.1
[M]- 172.04895 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.