CID 3018156

Diethyl bis(1-methylpropyl)malonate

Structural Information

Molecular Formula
C15H28O4
SMILES
CCC(C)C(C(C)CC)(C(=O)OCC)C(=O)OCC
InChI
InChI=1S/C15H28O4/c1-7-11(5)15(12(6)8-2,13(16)18-9-3)14(17)19-10-4/h11-12H,7-10H2,1-6H3
InChIKey
LSWBHWKZVGFJSW-UHFFFAOYSA-N
Compound name
diethyl 2,2-di(butan-2-yl)propanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

272.19876 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.206036 167.9
[M+Na]+ 295.187978 171.8
[M-H]- 271.191484 167.4
[M+NH4]+ 290.232583 184.4
[M+K]+ 311.161918 172.4
[M+H-H2O]+ 255.196020 162.8
[M+HCOO]- 317.196961 184.8
[M+CH3COO]- 331.212611 202.7
[M+Na-2H]- 293.173426 166.5
[M]+ 272.19821142 174.0
[M]- 272.19930858 174.0
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