CID 10334330

8-[5]-ladderane-1-octanol

Structural Information

Molecular Formula
C20H32O
SMILES
C1CC2C1C3C2C4C3C5C4C(C5)CCCCCCCCO
InChI
InChI=1S/C20H32O/c21-10-6-4-2-1-3-5-7-12-11-15-16(12)20-18-14-9-8-13(14)17(18)19(15)20/h12-21H,1-11H2
InChIKey
OMPYRTSKXURLIN-UHFFFAOYSA-N
Compound name
8-(4-pentacyclo[6.4.0.02,7.03,6.09,12]dodecanyl)octan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.24533 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.25261 166.6
[M+Na]+ 311.23455 167.0
[M-H]- 287.23805 170.1
[M+NH4]+ 306.27915 160.5
[M+K]+ 327.20849 171.8
[M+H-H2O]+ 271.24259 151.5
[M+HCOO]- 333.24353 170.8
[M+CH3COO]- 347.25918 254.2
[M+Na-2H]- 309.22000 164.5
[M]+ 288.24478 189.2
[M]- 288.24588 189.2
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.