CID 15215

1528-64-9

Structural Information

Molecular Formula
C16H22O4
SMILES
CC(C)COC(=O)C1=CC(=CC=C1)C(=O)OCC(C)C
InChI
InChI=1S/C16H22O4/c1-11(2)9-19-15(17)13-6-5-7-14(8-13)16(18)20-10-12(3)4/h5-8,11-12H,9-10H2,1-4H3
InChIKey
LKUXNJPSPNDDLI-UHFFFAOYSA-N
Compound name
bis(2-methylpropyl) benzene-1,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

668
Patents

278.1518 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.15908 165.5
[M+Na]+ 301.14102 175.2
[M+NH4]+ 296.18562 171.2
[M+K]+ 317.11496 171.0
[M-H]- 277.14452 165.3
[M+Na-2H]- 299.12647 168.8
[M]+ 278.15125 166.5
[M]- 278.15235 166.5
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