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]+ 259.190376 164.2
[M+Na]+ 281.172318 168.7
[M-H]- 257.175824 163.8
[M+NH4]+ 276.216923 181.4
[M+K]+ 297.146258 169.1
[M+H-H2O]+ 241.180360 159.1
[M+HCOO]- 303.181301 182.4
[M+CH3COO]- 317.196951 198.2
[M+Na-2H]- 279.157766 164.4
[M]+ 258.18255142 170.4
[M]- 258.18364858 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.