CID 83913984

4-ethyl-1,2,5-oxadiazole-3-carboxylic acid

Structural Information

Molecular Formula
C5H6N2O3
SMILES
CCC1=NON=C1C(=O)O
InChI
InChI=1S/C5H6N2O3/c1-2-3-4(5(8)9)7-10-6-3/h2H2,1H3,(H,8,9)
InChIKey
WRSLBEBHVLDFNB-UHFFFAOYSA-N
Compound name
4-ethyl-1,2,5-oxadiazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

111
Patents

142.03784 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.04512 124.8
[M+Na]+ 165.02706 134.2
[M-H]- 141.03056 125.6
[M+NH4]+ 160.07166 143.5
[M+K]+ 181.00100 134.7
[M+H-H2O]+ 125.03510 118.5
[M+HCOO]- 187.03604 146.2
[M+CH3COO]- 201.05169 169.2
[M+Na-2H]- 163.01251 131.1
[M]+ 142.03729 127.0
[M]- 142.03839 127.0
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