CID 4419244

Tricyclo(8.2.2.2(4,7))hexadeca-1(13),4,6,10(14),11,15-hexaen-5-yl-methanol

Structural Information

Molecular Formula
C17H18O
SMILES
C1CC2=CC(=C(CCC3=CC=C1C=C3)C=C2)CO
InChI
InChI=1S/C17H18O/c18-12-17-11-15-6-5-13-1-3-14(4-2-13)7-9-16(17)10-8-15/h1-4,8,10-11,18H,5-7,9,12H2
InChIKey
DBZFLKMLGVAMTF-UHFFFAOYSA-N
Compound name
5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

238.13577 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.14305 147.8
[M+Na]+ 261.12499 159.3
[M+NH4]+ 256.16959 156.9
[M+K]+ 277.09893 149.8
[M-H]- 237.12849 143.8
[M+Na-2H]- 259.11044 143.6
[M]+ 238.13522 147.8
[M]- 238.13632 147.8
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

patents stripe