CID 47003260

2-(3-cyano-1h-1,2,4-triazol-1-yl)acetamide

Structural Information

Molecular Formula
C5H5N5O
SMILES
C1=NC(=NN1CC(=O)N)C#N
InChI
InChI=1S/C5H5N5O/c6-1-5-8-3-10(9-5)2-4(7)11/h3H,2H2,(H2,7,11)
InChIKey
IMCWBQIDQSRZMJ-UHFFFAOYSA-N
Compound name
2-(3-cyano-1,2,4-triazol-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

151.04941 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.05669 132.1
[M+Na]+ 174.03863 141.4
[M+NH4]+ 169.08323 134.7
[M+K]+ 190.01257 136.3
[M-H]- 150.04213 123.8
[M+Na-2H]- 172.02408 133.9
[M]+ 151.04886 129.8
[M]- 151.04996 129.8
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.