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 148.9
[M+Na]+ 219.17193 153.8
[M-H]- 195.17543 150.5
[M+NH4]+ 214.21653 168.1
[M+K]+ 235.14587 151.5
[M+H-H2O]+ 179.17997 143.5
[M+HCOO]- 241.18091 167.0
[M+CH3COO]- 255.19656 186.7
[M+Na-2H]- 217.15738 149.9
[M]+ 196.18216 147.1
[M]- 196.18326 147.1
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.