CID 199344

4056-77-3

Structural Information

Molecular Formula
C15H26O4
SMILES
CCCCOC(=O)C1CCC(C1)C(=O)OCCCC
InChI
InChI=1S/C15H26O4/c1-3-5-9-18-14(16)12-7-8-13(11-12)15(17)19-10-6-4-2/h12-13H,3-11H2,1-2H3
InChIKey
SQXYSKZWZUMGMF-UHFFFAOYSA-N
Compound name
dibutyl cyclopentane-1,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.1831 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.19038 167.3
[M+Na]+ 293.17232 174.0
[M+NH4]+ 288.21692 172.9
[M+K]+ 309.14626 170.9
[M-H]- 269.17582 166.1
[M+Na-2H]- 291.15777 167.7
[M]+ 270.18255 167.4
[M]- 270.18365 167.4
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.