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

76
Patents

126.05416 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.061436 123.4
[M+Na]+ 149.043378 131.5
[M-H]- 125.046884 121.5
[M+NH4]+ 144.087983 141.8
[M+K]+ 165.017318 129.9
[M+H-H2O]+ 109.051420 115.7
[M+HCOO]- 171.052361 144.7
[M+CH3COO]- 185.068011 168.1
[M+Na-2H]- 147.028826 129.4
[M]+ 126.05361142 120.1
[M]- 126.05470858 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