CID 23658780

2408958-98-3

Structural Information

Molecular Formula

C₉H₁₆N₂O

SMILES

C1CN(C1)C(=O)C2CCNCC2

InChI

InChI=1S/C9H16N2O/c12-9(11-6-1-7-11)8-2-4-10-5-3-8/h8,10H,1-7H2

InChIKey

MNHOGCGLTKEWMC-UHFFFAOYSA-N

Compound name

azetidin-1-yl(piperidin-4-yl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 168.12627 Da
Monoisotopic Mass: -0.1
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]+	169.133546	137.2
[M+Na]+	191.115488	139.6
[M-H]-	167.118994	138.2
[M+NH4]+	186.160093	147.2
[M+K]+	207.089428	140.9
[M+H-H2O]+	151.123530	124.3
[M+HCOO]-	213.124471	151.1
[M+CH3COO]-	227.140121	178.3
[M+Na-2H]-	189.100936	140.3
[M]+	168.12572142	137.9
[M]-	168.12681858	137.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe