CID 20469306

71820-53-6

Structural Information

Molecular Formula
C13H24O
SMILES
CC1CC(CC(C1CC=C(C)C)C)O
InChI
InChI=1S/C13H24O/c1-9(2)5-6-13-10(3)7-12(14)8-11(13)4/h5,10-14H,6-8H2,1-4H3
InChIKey
FLAKAPCOAXPBIL-UHFFFAOYSA-N
Compound name
3,5-dimethyl-4-(3-methylbut-2-enyl)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

196.18271 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.189986 148.5
[M+Na]+ 219.171928 153.7
[M-H]- 195.175434 150.2
[M+NH4]+ 214.216533 168.0
[M+K]+ 235.145868 151.1
[M+H-H2O]+ 179.179970 143.6
[M+HCOO]- 241.180911 165.3
[M+CH3COO]- 255.196561 186.7
[M+Na-2H]- 217.157376 148.0
[M]+ 196.18216142 144.9
[M]- 196.18325858 144.9
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

patents stripe