CID 10057488

2-(dimethylamino)propane-1,3-diol

Structural Information

Molecular Formula

C₅H₁₃NO₂

SMILES

CN(C)C(CO)CO

InChI

InChI=1S/C5H13NO2/c1-6(2)5(3-7)4-8/h5,7-8H,3-4H2,1-2H3

InChIKey

CUACAHUDGBWTME-UHFFFAOYSA-N

Compound name

2-(dimethylamino)propane-1,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 433
Patents: 119.09463 Da
Monoisotopic Mass: -1.0
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]+	120.10191	124.8
[M+Na]+	142.08385	133.1
[M+NH4]+	137.12845	132.1
[M+K]+	158.05779	129.8
[M-H]-	118.08735	123.7
[M+Na-2H]-	140.06930	127.6
[M]+	119.09408	125.3
[M]-	119.09518	125.3

Literature stripe

literature stripe

Patent stripe

patents stripe