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]+ 180.149516 141.8
[M+Na]+ 202.131458 147.9
[M-H]- 178.134964 143.5
[M+NH4]+ 197.176063 159.2
[M+K]+ 218.105398 145.5
[M+H-H2O]+ 162.139500 132.6
[M+HCOO]- 224.140441 159.9
[M+CH3COO]- 238.156091 153.3
[M+Na-2H]- 200.116906 145.3
[M]+ 179.14169142 137.8
[M]- 179.14278858 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.