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]+ 155.092736 132.6
[M+Na]+ 177.074678 140.9
[M-H]- 153.078184 130.8
[M+NH4]+ 172.119283 150.2
[M+K]+ 193.048618 138.7
[M+H-H2O]+ 137.082720 124.9
[M+HCOO]- 199.083661 153.3
[M+CH3COO]- 213.099311 175.3
[M+Na-2H]- 175.060126 136.8
[M]+ 154.08491142 130.5
[M]- 154.08600858 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