CID 6437842

Triapenthenol

Structural Information

Molecular Formula
C15H25N3O
SMILES
CC(C)(C)C(/C(=C\C1CCCCC1)/N2C=NC=N2)O
InChI
InChI=1S/C15H25N3O/c1-15(2,3)14(19)13(18-11-16-10-17-18)9-12-7-5-4-6-8-12/h9-12,14,19H,4-8H2,1-3H3/b13-9+
InChIKey
CNFMJLVJDNGPHR-UKTHLTGXSA-N
Compound name
(E)-1-cyclohexyl-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

4843
Patents

263.19977 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.20705 165.5
[M+Na]+ 286.18899 173.7
[M+NH4]+ 281.23359 171.3
[M+K]+ 302.16293 171.2
[M-H]- 262.19249 165.1
[M+Na-2H]- 284.17444 169.1
[M]+ 263.19922 166.1
[M]- 263.20032 166.1
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

patents stripe