CID 131751163

Beta-kessyl alcohol

Structural Information

Molecular Formula
C15H26O2
SMILES
CC1CC(C2C1CC3(CCC2(O3)C)C(C)C)O
InChI
InChI=1S/C15H26O2/c1-9(2)15-6-5-14(4,17-15)13-11(8-15)10(3)7-12(13)16/h9-13,16H,5-8H2,1-4H3
InChIKey
VWQSEENZNJRXDR-UHFFFAOYSA-N
Compound name
1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-3-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

238.19328 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.20056 157.0
[M+Na]+ 261.18250 164.7
[M+NH4]+ 256.22710 169.2
[M+K]+ 277.15644 159.4
[M-H]- 237.18600 158.5
[M+Na-2H]- 259.16795 157.9
[M]+ 238.19273 158.7
[M]- 238.19383 158.7
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

No patent data available for this compound.