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]+ 152.056686 127.0
[M+Na]+ 174.038628 136.6
[M-H]- 150.042134 125.6
[M+NH4]+ 169.083233 142.8
[M+K]+ 190.012568 135.7
[M+H-H2O]+ 134.046670 111.7
[M+HCOO]- 196.047611 145.3
[M+CH3COO]- 210.063261 188.9
[M+Na-2H]- 172.024076 131.8
[M]+ 151.04886142 120.8
[M]- 151.04995858 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