CID 71160

Valproate pivoxil

Structural Information

Molecular Formula
C14H26O4
SMILES
CCCC(CCC)C(=O)OCOC(=O)C(C)(C)C
InChI
InChI=1S/C14H26O4/c1-6-8-11(9-7-2)12(15)17-10-18-13(16)14(3,4)5/h11H,6-10H2,1-5H3
InChIKey
DJEFRLDEQKSNLM-UHFFFAOYSA-N
Compound name
2,2-dimethylpropanoyloxymethyl 2-propylpentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

237
Patents

258.1831 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.19038 164.2
[M+Na]+ 281.17232 168.7
[M-H]- 257.17582 163.8
[M+NH4]+ 276.21692 181.4
[M+K]+ 297.14626 169.1
[M+H-H2O]+ 241.18036 159.1
[M+HCOO]- 303.18130 182.4
[M+CH3COO]- 317.19695 198.2
[M+Na-2H]- 279.15777 164.4
[M]+ 258.18255 170.4
[M]- 258.18365 170.4
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

No patent data available for this compound.