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 168.3
[M+Na]+ 293.17232 171.9
[M-H]- 269.17582 170.4
[M+NH4]+ 288.21692 186.3
[M+K]+ 309.14626 170.9
[M+H-H2O]+ 253.18036 162.0
[M+HCOO]- 315.18130 187.9
[M+CH3COO]- 329.19695 198.0
[M+Na-2H]- 291.15777 166.0
[M]+ 270.18255 171.5
[M]- 270.18365 171.5
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