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

3
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 127.0
[M+Na]+ 174.03863 136.6
[M-H]- 150.04213 125.6
[M+NH4]+ 169.08323 142.8
[M+K]+ 190.01257 135.7
[M+H-H2O]+ 134.04667 111.7
[M+HCOO]- 196.04761 145.3
[M+CH3COO]- 210.06326 188.9
[M+Na-2H]- 172.02408 131.8
[M]+ 151.04886 120.8
[M]- 151.04996 120.8
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

patents stripe