CID 11768576

5-cyanopentanamide

Structural Information

Molecular Formula

C₆H₁₀N₂O

SMILES

C(CCC(=O)N)CC#N

InChI

InChI=1S/C6H10N2O/c7-5-3-1-2-4-6(8)9/h1-4H2,(H2,8,9)

InChIKey

XZUDGZXKOFPLBC-UHFFFAOYSA-N

Compound name

5-cyanopentanamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 253
Patents: 126.079315 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]+	127.08659	128.7
[M+Na]+	149.06853	137.4
[M+NH4]+	144.11314	132.7
[M+K]+	165.04247	129.6
[M-H]-	125.07204	121.2
[M+Na-2H]-	147.05398	129.7
[M]+	126.07877	126.7
[M]-	126.07986	126.7

Literature stripe

literature stripe

Patent stripe

patents stripe