CID 88129

Valproic acid hydroxamate

Structural Information

Molecular Formula

C₈H₁₇NO₂

SMILES

CCCC(CCC)C(=O)NO

InChI

InChI=1S/C8H17NO2/c1-3-5-7(6-4-2)8(10)9-11/h7,11H,3-6H2,1-2H3,(H,9,10)

InChIKey

ROJGIRXXBBBMPL-UHFFFAOYSA-N

Compound name

N-hydroxy-2-propylpentanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 118
Patents: 159.12593 Da
Monoisotopic Mass: 1.9
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]+	160.133206	138.7
[M+Na]+	182.115148	143.7
[M-H]-	158.118654	137.3
[M+NH4]+	177.159753	158.6
[M+K]+	198.089088	143.2
[M+H-H2O]+	142.123190	133.6
[M+HCOO]-	204.124131	160.0
[M+CH3COO]-	218.139781	179.4
[M+Na-2H]-	180.100596	141.8
[M]+	159.12538142	138.8
[M]-	159.12647858	138.8

Literature stripe

literature stripe

Patent stripe

patents stripe