CID 66596271

4-[(azetidin-3-yl)methyl]morpholine dihydrochloride

Structural Information

Molecular Formula

C₈H₁₆N₂O

SMILES

C1COCCN1CC2CNC2

InChI

InChI=1S/C8H16N2O/c1-3-11-4-2-10(1)7-8-5-9-6-8/h8-9H,1-7H2

InChIKey

BTFCQCDQVVGYGJ-UHFFFAOYSA-N

Compound name

4-(azetidin-3-ylmethyl)morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
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]+	157.13355	130.1
[M+Na]+	179.11549	133.0
[M-H]-	155.11899	131.8
[M+NH4]+	174.16009	139.5
[M+K]+	195.08943	135.6
[M+H-H2O]+	139.12353	117.4
[M+HCOO]-	201.12447	144.4
[M+CH3COO]-	215.14012	176.0
[M+Na-2H]-	177.10094	136.1
[M]+	156.12572	132.5
[M]-	156.12682	132.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe