CID 68689

Valdipromide

Structural Information

Molecular Formula

C₁₁H₂₃NO

SMILES

CCCC(CCC)(CCC)C(=O)N

InChI

InChI=1S/C11H23NO/c1-4-7-11(8-5-2,9-6-3)10(12)13/h4-9H2,1-3H3,(H2,12,13)

InChIKey

ACBLZFZDCOGNHD-UHFFFAOYSA-N

Compound name

2,2-dipropylpentanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 52
Patents: 185.17796 Da
Monoisotopic Mass: 3.2
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]+	186.18524	148.2
[M+Na]+	208.16718	153.0
[M-H]-	184.17068	147.4
[M+NH4]+	203.21178	167.7
[M+K]+	224.14112	151.8
[M+H-H2O]+	168.17522	143.2
[M+HCOO]-	230.17616	168.6
[M+CH3COO]-	244.19181	188.6
[M+Na-2H]-	206.15263	151.1
[M]+	185.17741	149.1
[M]-	185.17851	149.1

Literature stripe

literature stripe

Patent stripe

patents stripe