CID 31447

Bupicomide

Structural Information

Molecular Formula

C₁₀H₁₄N₂O

SMILES

CCCCC1=CN=C(C=C1)C(=O)N

InChI

InChI=1S/C10H14N2O/c1-2-3-4-8-5-6-9(10(11)13)12-7-8/h5-7H,2-4H2,1H3,(H2,11,13)

InChIKey

VKSPIPWLHGKJQO-UHFFFAOYSA-N

Compound name

5-butylpyridine-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 546
Patents: 178.11061 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]+	179.11789	139.7
[M+Na]+	201.09983	146.8
[M-H]-	177.10333	141.5
[M+NH4]+	196.14443	158.1
[M+K]+	217.07377	144.5
[M+H-H2O]+	161.10787	132.8
[M+HCOO]-	223.10881	162.5
[M+CH3COO]-	237.12446	184.2
[M+Na-2H]-	199.08528	144.7
[M]+	178.11006	139.2
[M]-	178.11116	139.2

Literature stripe

literature stripe

Patent stripe

patents stripe