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]+ 197.18999 148.5
[M+Na]+ 219.17193 153.7
[M-H]- 195.17543 150.2
[M+NH4]+ 214.21653 168.0
[M+K]+ 235.14587 151.1
[M+H-H2O]+ 179.17997 143.6
[M+HCOO]- 241.18091 165.3
[M+CH3COO]- 255.19656 186.7
[M+Na-2H]- 217.15738 148.0
[M]+ 196.18216 144.9
[M]- 196.18326 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