CID 46339

64011-40-1

Structural Information

Molecular Formula
C26H48O4
SMILES
CC(C)CCCCCCCOC(=O)C1CCC1C(=O)OCCCCCCCC(C)C
InChI
InChI=1S/C26H48O4/c1-21(2)15-11-7-5-9-13-19-29-25(27)23-17-18-24(23)26(28)30-20-14-10-6-8-12-16-22(3)4/h21-24H,5-20H2,1-4H3
InChIKey
UMYXQNSTAYTVQI-UHFFFAOYSA-N
Compound name
bis(8-methylnonyl) cyclobutane-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.35526 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.36254 221.1
[M+Na]+ 447.34448 218.2
[M-H]- 423.34798 221.0
[M+NH4]+ 442.38908 224.4
[M+K]+ 463.31842 218.8
[M+H-H2O]+ 407.35252 207.3
[M+HCOO]- 469.35346 233.5
[M+CH3COO]- 483.36911 235.5
[M+Na-2H]- 445.32993 211.2
[M]+ 424.35471 236.8
[M]- 424.35581 236.8
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

No patent data available for this compound.