CID 4606108

Bicyclo(9.2.2)pentadeca-1(14),11(15),12-trien-5-ol

Structural Information

Molecular Formula
C15H22O
SMILES
C1CCC(CCCC2=CC=C(CC1)C=C2)O
InChI
InChI=1S/C15H22O/c16-15-7-3-1-2-5-13-9-11-14(12-10-13)6-4-8-15/h9-12,15-16H,1-8H2
InChIKey
QYPULOGCXZHATA-UHFFFAOYSA-N
Compound name
bicyclo[9.2.2]pentadeca-1(13),11,14-trien-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.16707 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.17435 164.3
[M+Na]+ 241.15629 164.4
[M-H]- 217.15979 148.0
[M+NH4]+ 236.20089 182.9
[M+K]+ 257.13023 163.6
[M+H-H2O]+ 201.16433 165.9
[M+HCOO]- 263.16527 167.8
[M+CH3COO]- 277.18092 168.8
[M+Na-2H]- 239.14174 173.8
[M]+ 218.16652 161.2
[M]- 218.16762 161.2
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.