CID 70523

Azacycloundecan-2-one

Structural Information

Molecular Formula

C₁₀H₁₉NO

SMILES

C1CCCCC(=O)NCCCC1

InChI

InChI=1S/C10H19NO/c12-10-8-6-4-2-1-3-5-7-9-11-10/h1-9H2,(H,11,12)

InChIKey

WULPUQZASCZTPO-UHFFFAOYSA-N

Compound name

azacycloundecan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 973
Patents: 169.14667 Da
Monoisotopic Mass: 1.8
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]+	170.153946	138.8
[M+Na]+	192.135888	141.5
[M-H]-	168.139394	135.8
[M+NH4]+	187.180493	153.9
[M+K]+	208.109828	140.4
[M+H-H2O]+	152.143930	135.3
[M+HCOO]-	214.144871	153.9
[M+CH3COO]-	228.160521	169.9
[M+Na-2H]-	190.121336	141.5
[M]+	169.14612142	126.9
[M]-	169.14721858	126.9

Literature stripe

literature stripe

Patent stripe

patents stripe