CID 11777410

6-[5]-ladderane-1-hexanol

Structural Information

Molecular Formula
C18H28O
SMILES
C1CC2C1C3C2C4C3C5C4C(C5)CCCCCCO
InChI
InChI=1S/C18H28O/c19-8-4-2-1-3-5-10-9-13-14(10)18-16-12-7-6-11(12)15(16)17(13)18/h10-19H,1-9H2
InChIKey
MFSSFGRNGHJJLI-UHFFFAOYSA-N
Compound name
6-(4-pentacyclo[6.4.0.02,7.03,6.09,12]dodecanyl)hexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.21402 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.22130 160.9
[M+Na]+ 283.20324 161.8
[M-H]- 259.20674 164.7
[M+NH4]+ 278.24784 155.4
[M+K]+ 299.17718 166.8
[M+H-H2O]+ 243.21128 146.1
[M+HCOO]- 305.21222 165.6
[M+CH3COO]- 319.22787 251.7
[M+Na-2H]- 281.18869 159.6
[M]+ 260.21347 183.3
[M]- 260.21457 183.3
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.