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]+ 239.200556 158.9
[M+Na]+ 261.182498 165.8
[M-H]- 237.186004 161.6
[M+NH4]+ 256.227103 185.2
[M+K]+ 277.156438 163.1
[M+H-H2O]+ 221.190540 156.3
[M+HCOO]- 283.191481 171.8
[M+CH3COO]- 297.207131 192.8
[M+Na-2H]- 259.167946 160.4
[M]+ 238.19273142 157.4
[M]- 238.19382858 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.