CID 20107017

856863-17-7

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 131.5
[M-H]- 125.04688 121.5
[M+NH4]+ 144.08798 141.8
[M+K]+ 165.01732 129.9
[M+H-H2O]+ 109.05142 115.7
[M+HCOO]- 171.05236 144.7
[M+CH3COO]- 185.06801 168.1
[M+Na-2H]- 147.02883 129.4
[M]+ 126.05361 120.1
[M]- 126.05471 120.1
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