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

61
Patents

272.19876 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.20604 169.2
[M+Na]+ 295.18798 173.4
[M-H]- 271.19148 168.4
[M+NH4]+ 290.23258 185.8
[M+K]+ 311.16192 172.9
[M+H-H2O]+ 255.19602 163.6
[M+HCOO]- 317.19696 188.0
[M+CH3COO]- 331.21261 201.0
[M+Na-2H]- 293.17343 170.1
[M]+ 272.19821 176.5
[M]- 272.19931 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