CID 84049786

2639445-92-2

Structural Information

Molecular Formula

C₆H₁₄N₂O

SMILES

CN(C)CC1(CNC1)O

InChI

InChI=1S/C6H14N2O/c1-8(2)5-6(9)3-7-4-6/h7,9H,3-5H2,1-2H3

InChIKey

YECJWPNDHRDXFI-UHFFFAOYSA-N

Compound name

3-[(dimethylamino)methyl]azetidin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 130.11061 Da
Monoisotopic Mass: -1.2
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]+	131.11789	130.5
[M+Na]+	153.09983	134.9
[M+NH4]+	148.14443	135.5
[M+K]+	169.07377	130.9
[M-H]-	129.10333	128.1
[M+Na-2H]-	151.08528	133.5
[M]+	130.11006	129.1
[M]-	130.11116	129.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.