CID 66201782

2411264-15-6

Structural Information

Molecular Formula

C₁₁H₂₃N₃O₂

SMILES

C1CN(CCN1CCOCCO)C2CNC2

InChI

InChI=1S/C11H23N3O2/c15-6-8-16-7-5-13-1-3-14(4-2-13)11-9-12-10-11/h11-12,15H,1-10H2

InChIKey

PPJFTIYUFYNIAO-UHFFFAOYSA-N

Compound name

2-[2-[4-(azetidin-3-yl)piperazin-1-yl]ethoxy]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 229.17903 Da
Monoisotopic Mass: -1.3
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]+	230.186306	154.5
[M+Na]+	252.168248	156.2
[M-H]-	228.171754	152.4
[M+NH4]+	247.212853	160.2
[M+K]+	268.142188	156.6
[M+H-H2O]+	212.176290	140.2
[M+HCOO]-	274.177231	165.8
[M+CH3COO]-	288.192881	188.2
[M+Na-2H]-	250.153696	156.4
[M]+	229.17848142	157.6
[M]-	229.17957858	157.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.