CID 137323822

Lmfa01140083

Structural Information

Molecular Formula
C20H30O2
SMILES
C1CC2C(C=C1)C3C2C=CC(C3)CCCCCCCC(=O)O
InChI
InChI=1S/C20H30O2/c21-20(22)11-5-3-1-2-4-8-15-12-13-18-16-9-6-7-10-17(16)19(18)14-15/h7,10,12-13,15-19H,1-6,8-9,11,14H2,(H,21,22)
InChIKey
YXIWYGQKTGFZLE-UHFFFAOYSA-N
Compound name
8-(1,2,4a,4b,5,6,8a,8b-octahydrobiphenylen-2-yl)octanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.22458 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.23186 173.7
[M+Na]+ 325.21380 175.3
[M-H]- 301.21730 175.3
[M+NH4]+ 320.25840 183.4
[M+K]+ 341.18774 173.7
[M+H-H2O]+ 285.22184 161.6
[M+HCOO]- 347.22278 186.1
[M+CH3COO]- 361.23843 209.1
[M+Na-2H]- 323.19925 174.3
[M]+ 302.22403 180.6
[M]- 302.22513 180.6
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.