CID 3083863

Hexazole

Structural Information

Molecular Formula
C10H17N3
SMILES
CCC1=NN=CN1C2CCCCC2
InChI
InChI=1S/C10H17N3/c1-2-10-12-11-8-13(10)9-6-4-3-5-7-9/h8-9H,2-7H2,1H3
InChIKey
DFIYTRTXUYWZSK-UHFFFAOYSA-N
Compound name
4-cyclohexyl-3-ethyl-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

124
Patents

179.14224 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.14952 141.8
[M+Na]+ 202.13146 147.9
[M-H]- 178.13496 143.5
[M+NH4]+ 197.17606 159.2
[M+K]+ 218.10540 145.5
[M+H-H2O]+ 162.13950 132.6
[M+HCOO]- 224.14044 159.9
[M+CH3COO]- 238.15609 153.3
[M+Na-2H]- 200.11691 145.3
[M]+ 179.14169 137.8
[M]- 179.14279 137.8
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

No patent data available for this compound.