CID 5363817

Alpha-ionol

Structural Information

Molecular Formula
C13H22O
SMILES
CC1=CCCC(C1/C=C/C(C)O)(C)C
InChI
InChI=1S/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6-8,11-12,14H,5,9H2,1-4H3/b8-7+
InChIKey
PWDOJWCZWKWKSE-BQYQJAHWSA-N
Compound name
(E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-ol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

1
References

983
Patents

194.16707 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.17435 147.6
[M+Na]+ 217.15629 158.6
[M+NH4]+ 212.20089 157.3
[M+K]+ 233.13023 150.2
[M-H]- 193.15979 149.3
[M+Na-2H]- 215.14174 153.3
[M]+ 194.16652 149.7
[M]- 194.16762 149.7
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