CID 137323825

8-[1]-ladderane octanol

Structural Information

Molecular Formula
C20H32O
SMILES
C1CC2C(C=C1)C3C2C=CC(C3)CCCCCCCCO
InChI
InChI=1S/C20H32O/c21-14-8-4-2-1-3-5-9-16-12-13-19-17-10-6-7-11-18(17)20(19)15-16/h7,11-13,16-21H,1-6,8-10,14-15H2
InChIKey
FRIKWUMANILBMM-UHFFFAOYSA-N
Compound name
8-(1,2,4a,4b,5,6,8a,8b-octahydrobiphenylen-2-yl)octan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.24533 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.25261 170.0
[M+Na]+ 311.23455 172.0
[M-H]- 287.23805 171.8
[M+NH4]+ 306.27915 180.7
[M+K]+ 327.20849 169.8
[M+H-H2O]+ 271.24259 158.2
[M+HCOO]- 333.24353 183.3
[M+CH3COO]- 347.25918 207.0
[M+Na-2H]- 309.22000 172.0
[M]+ 288.24478 176.9
[M]- 288.24588 176.9
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.