CID 139598059

Dtxsid801024881

Structural Information

Molecular Formula
C7H12N4O3
SMILES
CCCOC1=NN(C(=O)N1C)C(=O)N
InChI
InChI=1S/C7H12N4O3/c1-3-4-14-6-9-11(5(8)12)7(13)10(6)2/h3-4H2,1-2H3,(H2,8,12)
InChIKey
YOPVEAFEKGLMQB-UHFFFAOYSA-N
Compound name
4-methyl-5-oxo-3-propoxy-1,2,4-triazole-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

200.09094 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.09822 141.0
[M+Na]+ 223.08016 151.2
[M-H]- 199.08366 141.2
[M+NH4]+ 218.12476 158.0
[M+K]+ 239.05410 150.0
[M+H-H2O]+ 183.08820 133.4
[M+HCOO]- 245.08914 163.4
[M+CH3COO]- 259.10479 186.1
[M+Na-2H]- 221.06561 143.8
[M]+ 200.09039 143.9
[M]- 200.09149 143.9
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.