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 158.9
[M+Na]+ 261.18250 165.8
[M-H]- 237.18600 161.6
[M+NH4]+ 256.22710 185.2
[M+K]+ 277.15644 163.1
[M+H-H2O]+ 221.19054 156.3
[M+HCOO]- 283.19148 171.8
[M+CH3COO]- 297.20713 192.8
[M+Na-2H]- 259.16795 160.4
[M]+ 238.19273 157.4
[M]- 238.19383 157.4
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.