CID 579336

Dihydro-beta-ionol

Structural Information

Molecular Formula
C13H24O
SMILES
CC1=C(C(CCC1)(C)C)CCC(C)O
InChI
InChI=1S/C13H24O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h11,14H,5-9H2,1-4H3
InChIKey
VSYLEWGIVLSDIY-UHFFFAOYSA-N
Compound name
4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-ol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

159
Patents

196.18271 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.189986 147.5
[M+Na]+ 219.171928 153.3
[M-H]- 195.175434 149.5
[M+NH4]+ 214.216533 168.8
[M+K]+ 235.145868 151.3
[M+H-H2O]+ 179.179970 143.1
[M+HCOO]- 241.180911 165.6
[M+CH3COO]- 255.196561 186.2
[M+Na-2H]- 217.157376 149.7
[M]+ 196.18216142 146.0
[M]- 196.18325858 146.0
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