CID 159476326

195371-13-2

Structural Information

Molecular Formula
C26H38O4
SMILES
C1CC2C(C1)C3CC2CC3COC(=O)CCC(=O)OCC4CC5CC4C6C5CCC6
InChI
InChI=1S/C26H38O4/c27-25(29-13-17-9-15-11-23(17)21-5-1-3-19(15)21)7-8-26(28)30-14-18-10-16-12-24(18)22-6-2-4-20(16)22/h15-24H,1-14H2
InChIKey
LWKTZCQAVPFYRH-UHFFFAOYSA-N
Compound name
bis(8-tricyclo[5.2.1.02,6]decanylmethyl) butanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

414.277 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.284276 213.0
[M+Na]+ 437.266218 213.3
[M-H]- 413.269724 219.6
[M+NH4]+ 432.310823 236.9
[M+K]+ 453.240158 209.9
[M+H-H2O]+ 397.274260 212.9
[M+HCOO]- 459.275201 223.5
[M+CH3COO]- 473.290851 219.7
[M+Na-2H]- 435.251666 199.2
[M]+ 414.27645142 212.9
[M]- 414.27754858 212.9
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