CID 137323827

6-[1]-ladderane hexanol

Structural Information

Molecular Formula
C18H28O
SMILES
C1CC2C(C=C1)C3C2C=CC(C3)CCCCCCO
InChI
InChI=1S/C18H28O/c19-12-6-2-1-3-7-14-10-11-17-15-8-4-5-9-16(15)18(17)13-14/h5,9-11,14-19H,1-4,6-8,12-13H2
InChIKey
WNGSQFREFUKQMP-UHFFFAOYSA-N
Compound name
6-(1,2,4a,4b,5,6,8a,8b-octahydrobiphenylen-2-yl)hexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

260.21402 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.22130 160.7
[M+Na]+ 283.20324 163.6
[M-H]- 259.20674 162.9
[M+NH4]+ 278.24784 172.6
[M+K]+ 299.17718 161.9
[M+H-H2O]+ 243.21128 149.3
[M+HCOO]- 305.21222 174.7
[M+CH3COO]- 319.22787 201.3
[M+Na-2H]- 281.18869 163.8
[M]+ 260.21347 167.0
[M]- 260.21457 167.0
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

patents stripe