CID 118366787

Refchem:587132

Structural Information

Molecular Formula
C15H28O4
SMILES
CCCC(CCC)(CC(=O)OCC)CC(=O)OCC
InChI
InChI=1S/C15H28O4/c1-5-9-15(10-6-2,11-13(16)18-7-3)12-14(17)19-8-4/h5-12H2,1-4H3
InChIKey
SJLZBOWUXRTJHY-UHFFFAOYSA-N
Compound name
diethyl 3,3-dipropylpentanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

272.19876 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.206036 169.2
[M+Na]+ 295.187978 173.4
[M-H]- 271.191484 168.4
[M+NH4]+ 290.232583 185.8
[M+K]+ 311.161918 172.9
[M+H-H2O]+ 255.196020 163.6
[M+HCOO]- 317.196961 188.0
[M+CH3COO]- 331.212611 201.0
[M+Na-2H]- 293.173426 170.1
[M]+ 272.19821142 176.5
[M]- 272.19930858 176.5
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