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]+ 233.189986 169.6
[M+Na]+ 255.171928 168.6
[M-H]- 231.175434 152.5
[M+NH4]+ 250.216533 187.7
[M+K]+ 271.145868 167.7
[M+H-H2O]+ 215.179970 171.0
[M+HCOO]- 277.180911 171.4
[M+CH3COO]- 291.196561 173.1
[M+Na-2H]- 253.157376 178.5
[M]+ 232.18216142 166.0
[M]- 232.18325858 166.0
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.