CID 57033281

5-propyl-1h-1,2,4-triazole-3-carboxamide

Structural Information

Molecular Formula
C6H10N4O
SMILES
CCCC1=NC(=NN1)C(=O)N
InChI
InChI=1S/C6H10N4O/c1-2-3-4-8-6(5(7)11)10-9-4/h2-3H2,1H3,(H2,7,11)(H,8,9,10)
InChIKey
WDYYCTTUVSQQII-UHFFFAOYSA-N
Compound name
5-propyl-1H-1,2,4-triazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

154.08546 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.09274 132.6
[M+Na]+ 177.07468 140.9
[M-H]- 153.07818 130.8
[M+NH4]+ 172.11928 150.2
[M+K]+ 193.04862 138.7
[M+H-H2O]+ 137.08272 124.9
[M+HCOO]- 199.08366 153.3
[M+CH3COO]- 213.09931 175.3
[M+Na-2H]- 175.06013 136.8
[M]+ 154.08491 130.5
[M]- 154.08601 130.5
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

patents stripe