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]+ 425.362536 221.1
[M+Na]+ 447.344478 218.2
[M-H]- 423.347984 221.0
[M+NH4]+ 442.389083 224.4
[M+K]+ 463.318418 218.8
[M+H-H2O]+ 407.352520 207.3
[M+HCOO]- 469.353461 233.5
[M+CH3COO]- 483.369111 235.5
[M+Na-2H]- 445.329926 211.2
[M]+ 424.35471142 236.8
[M]- 424.35580858 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.