CID 53569

Milacemide

Structural Information

Molecular Formula

C₇H₁₆N₂O

SMILES

CCCCCNCC(=O)N

InChI

InChI=1S/C7H16N2O/c1-2-3-4-5-9-6-7(8)10/h9H,2-6H2,1H3,(H2,8,10)

InChIKey

GJNNXIYZWIZFRH-UHFFFAOYSA-N

Compound name

2-(pentylamino)acetamide

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 69
References: 1601
Patents: 144.12627 Da
Monoisotopic Mass: 0.5
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]+	145.13355	133.9
[M+Na]+	167.11549	139.0
[M-H]-	143.11899	133.4
[M+NH4]+	162.16009	154.5
[M+K]+	183.08943	138.4
[M+H-H2O]+	127.12353	128.3
[M+HCOO]-	189.12447	158.2
[M+CH3COO]-	203.14012	181.1
[M+Na-2H]-	165.10094	138.4
[M]+	144.12572	132.9
[M]-	144.12682	132.9

Literature stripe

literature stripe

Patent stripe

patents stripe