CID 2756523

Ethyl 5-amino-1,3,4-oxadiazole-2-carboxylate

Structural Information

Molecular Formula
C5H7N3O3
SMILES
CCOC(=O)C1=NN=C(O1)N
InChI
InChI=1S/C5H7N3O3/c1-2-10-4(9)3-7-8-5(6)11-3/h2H2,1H3,(H2,6,8)
InChIKey
JZSBFOOEPYPCPW-UHFFFAOYSA-N
Compound name
ethyl 5-amino-1,3,4-oxadiazole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

171
Patents

157.04874 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.056016 129.0
[M+Na]+ 180.037958 138.1
[M-H]- 156.041464 130.8
[M+NH4]+ 175.082563 147.3
[M+K]+ 196.011898 139.0
[M+H-H2O]+ 140.046000 122.0
[M+HCOO]- 202.046941 152.4
[M+CH3COO]- 216.062591 175.5
[M+Na-2H]- 178.023406 135.1
[M]+ 157.04819142 131.2
[M]- 157.04928858 131.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe