CID 159291837

1,6-bis[(octahydro-4,7-methano-1h-inden-5-yl)methyl] hexanedioate

Structural Information

Molecular Formula
C28H42O4
SMILES
C1CC2C(C1)C3CC2CC3COC(=O)CCCCC(=O)OCC4CC5CC4C6C5CCC6
InChI
InChI=1S/C28H42O4/c29-27(31-15-19-11-17-13-25(19)23-7-3-5-21(17)23)9-1-2-10-28(30)32-16-20-12-18-14-26(20)24-8-4-6-22(18)24/h17-26H,1-16H2
InChIKey
LAFMCYQWFGCWJH-UHFFFAOYSA-N
Compound name
bis(8-tricyclo[5.2.1.02,6]decanylmethyl) hexanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

442.30832 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.31560 221.4
[M+Na]+ 465.29754 220.8
[M-H]- 441.30104 227.6
[M+NH4]+ 460.34214 244.3
[M+K]+ 481.27148 217.1
[M+H-H2O]+ 425.30558 221.0
[M+HCOO]- 487.30652 231.3
[M+CH3COO]- 501.32217 227.2
[M+Na-2H]- 463.28299 206.7
[M]+ 442.30777 221.8
[M]- 442.30887 221.8
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