CID 36181

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

Structural Information

Molecular Formula
C4H6N4O2
SMILES
CC1=NON=C1C(=O)NN
InChI
InChI=1S/C4H6N4O2/c1-2-3(4(9)6-5)8-10-7-2/h5H2,1H3,(H,6,9)
InChIKey
AGRMGGWFFPBODC-UHFFFAOYSA-N
Compound name
4-methyl-1,2,5-oxadiazole-3-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

142.04907 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.05635 126.1
[M+Na]+ 165.03829 134.7
[M-H]- 141.04179 128.0
[M+NH4]+ 160.08289 144.6
[M+K]+ 181.01223 135.3
[M+H-H2O]+ 125.04633 118.8
[M+HCOO]- 187.04727 150.5
[M+CH3COO]- 201.06292 175.4
[M+Na-2H]- 163.02374 133.0
[M]+ 142.04852 125.7
[M]- 142.04962 125.7
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