CID 4377764

Bicyclo(10.2.2)hexadeca-1(15),12(16),13-trien-6-ol

Structural Information

Molecular Formula
C16H24O
SMILES
C1CCC(CCCCC2=CC=C(CC1)C=C2)O
InChI
InChI=1S/C16H24O/c17-16-8-3-1-2-6-14-10-12-15(13-11-14)7-4-5-9-16/h10-13,16-17H,1-9H2
InChIKey
MNGDGTJYTVPIDT-UHFFFAOYSA-N
Compound name
bicyclo[10.2.2]hexadeca-1(14),12,15-trien-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.18271 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.18999 156.1
[M+Na]+ 255.17193 164.6
[M+NH4]+ 250.21653 165.9
[M+K]+ 271.14587 155.8
[M-H]- 231.17543 151.3
[M+Na-2H]- 253.15738 149.4
[M]+ 232.18216 155.4
[M]- 232.18326 155.4
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.