CID 1121433

2-cyclohexyl-n-(4h-1,2,4-triazol-4-yl)acetamide

Structural Information

Molecular Formula
C10H16N4O
SMILES
C1CCC(CC1)CC(=O)NN2C=NN=C2
InChI
InChI=1S/C10H16N4O/c15-10(13-14-7-11-12-8-14)6-9-4-2-1-3-5-9/h7-9H,1-6H2,(H,13,15)
InChIKey
AOBWCUAFPHIXSM-UHFFFAOYSA-N
Compound name
2-cyclohexyl-N-(1,2,4-triazol-4-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.13242 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.139696 147.1
[M+Na]+ 231.121638 151.3
[M-H]- 207.125144 148.7
[M+NH4]+ 226.166243 162.5
[M+K]+ 247.095578 149.3
[M+H-H2O]+ 191.129680 137.3
[M+HCOO]- 253.130621 165.7
[M+CH3COO]- 267.146271 185.4
[M+Na-2H]- 229.107086 150.9
[M]+ 208.13187142 142.0
[M]- 208.13296858 142.0
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

No patent data available for this compound.