CID 36180

4-methyl-1,2,5-oxadiazole-3-carboxamide

Structural Information

Molecular Formula
C4H5N3O2
SMILES
CC1=NON=C1C(=O)N
InChI
InChI=1S/C4H5N3O2/c1-2-3(4(5)8)7-9-6-2/h1H3,(H2,5,8)
InChIKey
QRRDRWCBNYCPJW-UHFFFAOYSA-N
Compound name
4-methyl-1,2,5-oxadiazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

30
Patents

127.03818 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.04546 122.3
[M+Na]+ 150.02740 132.7
[M+NH4]+ 145.07200 129.0
[M+K]+ 166.00134 131.6
[M-H]- 126.03090 123.1
[M+Na-2H]- 148.01285 126.6
[M]+ 127.03763 123.6
[M]- 127.03873 123.6
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