CID 137323826

Lmfa01140087

Structural Information

Molecular Formula
C20H34O
SMILES
C1CC2C3CCC(CC3C2C=C1)CCCCCCCCO
InChI
InChI=1S/C20H34O/c21-14-8-4-2-1-3-5-9-16-12-13-19-17-10-6-7-11-18(17)20(19)15-16/h7,11,16-21H,1-6,8-10,12-15H2
InChIKey
AXFRZHZLFVMPSU-UHFFFAOYSA-N
Compound name
8-(1,2,3,4,4a,4b,5,6,8a,8b-decahydrobiphenylen-2-yl)octan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.26096 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.26824 171.1
[M+Na]+ 313.25018 172.0
[M-H]- 289.25368 172.4
[M+NH4]+ 308.29478 181.6
[M+K]+ 329.22412 170.0
[M+H-H2O]+ 273.25822 159.2
[M+HCOO]- 335.25916 182.9
[M+CH3COO]- 349.27481 207.4
[M+Na-2H]- 311.23563 172.0
[M]+ 290.26041 176.5
[M]- 290.26151 176.5
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.