CID 3329123

Diethyl 2-benzyl-2-methylmalonate

Structural Information

Molecular Formula
C15H20O4
SMILES
CCOC(=O)C(C)(CC1=CC=CC=C1)C(=O)OCC
InChI
InChI=1S/C15H20O4/c1-4-18-13(16)15(3,14(17)19-5-2)11-12-9-7-6-8-10-12/h6-10H,4-5,11H2,1-3H3
InChIKey
XVKFESUTLASBKM-UHFFFAOYSA-N
Compound name
diethyl 2-benzyl-2-methylpropanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

264.13617 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.14345 161.5
[M+Na]+ 287.12539 171.5
[M+NH4]+ 282.16999 167.5
[M+K]+ 303.09933 166.9
[M-H]- 263.12889 161.1
[M+Na-2H]- 285.11084 165.9
[M]+ 264.13562 162.6
[M]- 264.13672 162.6
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