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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	155.09274	132.3
[M+Na]+	177.07468	141.4
[M+NH4]+	172.11928	138.0
[M+K]+	193.04862	139.6
[M-H]-	153.07818	130.7
[M+Na-2H]-	175.06013	135.9
[M]+	154.08491	132.6
[M]-	154.08601	132.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe