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

1
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

literature stripe

Patent stripe

patents stripe