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

2
Annotation Hits: 0
References: 237
Patents: 258.1831 Da
Monoisotopic Mass: 4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe