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]+	131.117886	131.4
[M+Na]+	153.099828	136.1
[M-H]-	129.103334	132.3
[M+NH4]+	148.144433	146.4
[M+K]+	169.073768	138.9
[M+H-H2O]+	113.107870	121.3
[M+HCOO]-	175.108811	150.8
[M+CH3COO]-	189.124461	175.9
[M+Na-2H]-	151.085276	137.4
[M]+	130.11006142	137.3
[M]-	130.11115858	137.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe