CID 3085478

Alpha-butyl-2,4-dimethyl-3-cyclohexene-1-methanol

Structural Information

Molecular Formula
C13H24O
SMILES
CCCC[C@H]([C@@H]1CCC(=C[C@H]1C)C)O
InChI
InChI=1S/C13H24O/c1-4-5-6-13(14)12-8-7-10(2)9-11(12)3/h9,11-14H,4-8H2,1-3H3/t11-,12-,13-/m1/s1
InChIKey
AIUPLWNFVHFDRR-JHJVBQTASA-N
Compound name
(1R)-1-[(1R,2R)-2,4-dimethylcyclohex-3-en-1-yl]pentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

196.18271 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.18999 148.4
[M+Na]+ 219.17193 159.2
[M+NH4]+ 214.21653 156.9
[M+K]+ 235.14587 152.6
[M-H]- 195.17543 150.3
[M+Na-2H]- 217.15738 152.5
[M]+ 196.18216 150.4
[M]- 196.18326 150.4
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.