CID 89606935

1400759-50-3

Structural Information

Molecular Formula

C₉H₁₈N₂O

SMILES

COC1CN(C1)C2CCNCC2

InChI

InChI=1S/C9H18N2O/c1-12-9-6-11(7-9)8-2-4-10-5-3-8/h8-10H,2-7H2,1H3

InChIKey

NPJKMRGPQIQRIV-UHFFFAOYSA-N

Compound name

4-(3-methoxyazetidin-1-yl)piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 170.1419 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]+	171.14918	136.7
[M+Na]+	193.13112	140.0
[M-H]-	169.13462	138.0
[M+NH4]+	188.17572	147.1
[M+K]+	209.10506	141.3
[M+H-H2O]+	153.13916	124.0
[M+HCOO]-	215.14010	151.4
[M+CH3COO]-	229.15575	180.0
[M+Na-2H]-	191.11657	140.5
[M]+	170.14135	139.2
[M]-	170.14245	139.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe