CID 20107017

2-(1h-1,2,4-triazol-5-yl)acetamide

Structural Information

Molecular Formula
C4H6N4O
SMILES
C1=NNC(=N1)CC(=O)N
InChI
InChI=1S/C4H6N4O/c5-3(9)1-4-6-2-7-8-4/h2H,1H2,(H2,5,9)(H,6,7,8)
InChIKey
HVJKVFXYRYHZQF-UHFFFAOYSA-N
Compound name
2-(1H-1,2,4-triazol-5-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

89
Patents

126.05416 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.06144 123.4
[M+Na]+ 149.04338 132.6
[M+NH4]+ 144.08798 129.5
[M+K]+ 165.01732 131.0
[M-H]- 125.04688 121.9
[M+Na-2H]- 147.02883 127.8
[M]+ 126.05361 123.7
[M]- 126.05471 123.7
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