CID 137323823

Lmfa01140084

Structural Information

Molecular Formula
C20H32O2
SMILES
C1CC2C3CCC(CC3C2C=C1)CCCCCCCC(=O)O
InChI
InChI=1S/C20H32O2/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/h7,10,15-19H,1-6,8-9,11-14H2,(H,21,22)
InChIKey
ZKRGEQPJMSDUDI-UHFFFAOYSA-N
Compound name
8-(1,2,3,4,4a,4b,5,6,8a,8b-decahydrobiphenylen-2-yl)octanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.24023 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.24751 174.6
[M+Na]+ 327.22945 175.2
[M-H]- 303.23295 175.9
[M+NH4]+ 322.27405 184.2
[M+K]+ 343.20339 173.8
[M+H-H2O]+ 287.23749 162.7
[M+HCOO]- 349.23843 185.6
[M+CH3COO]- 363.25408 209.5
[M+Na-2H]- 325.21490 174.3
[M]+ 304.23968 180.1
[M]- 304.24078 180.1
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.