CID 266439

5295-23-8

Structural Information

Molecular Formula
C4H6N4O
SMILES
CC(=O)NC1=NC=NN1
InChI
InChI=1S/C4H6N4O/c1-3(9)7-4-5-2-6-8-4/h2H,1H3,(H2,5,6,7,8,9)
InChIKey
REGWOMUKTJWBAW-UHFFFAOYSA-N
Compound name
N-(1H-1,2,4-triazol-5-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

109
Patents

126.05416 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.06144 123.5
[M+Na]+ 149.04338 131.7
[M-H]- 125.04688 122.1
[M+NH4]+ 144.08798 142.2
[M+K]+ 165.01732 130.4
[M+H-H2O]+ 109.05142 115.8
[M+HCOO]- 171.05236 145.4
[M+CH3COO]- 185.06801 168.1
[M+Na-2H]- 147.02883 130.5
[M]+ 126.05361 121.1
[M]- 126.05471 121.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe