CID 60208906

Ncgc00380550-01

Structural Information

Molecular Formula
C24H40O5
SMILES
CC(CCC1C(=C)CCC2C1(CCC(C2(C)C)O)C)CCOC(=O)CCC(=O)O
InChI
InChI=1S/C24H40O5/c1-16(13-15-29-22(28)11-10-21(26)27)6-8-18-17(2)7-9-19-23(3,4)20(25)12-14-24(18,19)5/h16,18-20,25H,2,6-15H2,1,3-5H3,(H,26,27)
InChIKey
PEFFBGFCZXFQSX-UHFFFAOYSA-N
Compound name
4-[5-(6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)-3-methylpentoxy]-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

408.28757 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.294846 200.2
[M+Na]+ 431.276788 202.0
[M-H]- 407.280294 199.4
[M+NH4]+ 426.321393 214.6
[M+K]+ 447.250728 198.9
[M+H-H2O]+ 391.284830 195.8
[M+HCOO]- 453.285771 207.5
[M+CH3COO]- 467.301421 224.7
[M+Na-2H]- 429.262236 195.3
[M]+ 408.28702142 199.0
[M]- 408.28811858 199.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.