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
4
Annotation Hits

0
References

5550
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 167.3
[M+Na]+ 286.18899 170.1
[M-H]- 262.19249 167.3
[M+NH4]+ 281.23359 180.4
[M+K]+ 302.16293 167.1
[M+H-H2O]+ 246.19703 158.4
[M+HCOO]- 308.19797 179.1
[M+CH3COO]- 322.21362 193.4
[M+Na-2H]- 284.17444 167.2
[M]+ 263.19922 161.7
[M]- 263.20032 161.7
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.