CID 66936438

4-(3-methylazetidin-3-yl)morpholine dihydrochloride

Structural Information

Molecular Formula

C₈H₁₆N₂O

SMILES

CC1(CNC1)N2CCOCC2

InChI

InChI=1S/C8H16N2O/c1-8(6-9-7-8)10-2-4-11-5-3-10/h9H,2-7H2,1H3

InChIKey

RALLCHJTUDTVCG-UHFFFAOYSA-N

Compound name

4-(3-methylazetidin-3-yl)morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 156.12627 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]+	157.133546	132.0
[M+Na]+	179.115488	135.8
[M-H]-	155.118994	134.2
[M+NH4]+	174.160093	143.4
[M+K]+	195.089428	138.5
[M+H-H2O]+	139.123530	120.3
[M+HCOO]-	201.124471	146.3
[M+CH3COO]-	215.140121	175.5
[M+Na-2H]-	177.100936	138.8
[M]+	156.12572142	134.7
[M]-	156.12681858	134.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe