CID 10244470

6-[3]-ladderane-1-hexanol

Structural Information

Molecular Formula
C18H30O
SMILES
C1CC2C(CC1CCCCCCO)C3C2C4C3CC4
InChI
InChI=1S/C18H30O/c19-10-4-2-1-3-5-12-6-7-15-16(11-12)18-14-9-8-13(14)17(15)18/h12-19H,1-11H2
InChIKey
OPEALXSBJSNYAZ-UHFFFAOYSA-N
Compound name
6-(10-tetracyclo[6.4.0.02,7.03,6]dodecanyl)hexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.22968 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.23696 148.7
[M+Na]+ 285.21890 150.0
[M-H]- 261.22240 151.9
[M+NH4]+ 280.26350 149.1
[M+K]+ 301.19284 154.0
[M+H-H2O]+ 245.22694 132.6
[M+HCOO]- 307.22788 157.6
[M+CH3COO]- 321.24353 222.9
[M+Na-2H]- 283.20435 150.4
[M]+ 262.22913 169.0
[M]- 262.23023 169.0
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.