CID 3016909

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

Structural Information

Molecular Formula

C₅H₁₃NO₂

SMILES

CN(C)C(CCO)O

InChI

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

InChIKey

DTWQXQRQHDSUED-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 166
Patents: 119.09463 Da
Monoisotopic Mass: -0.6
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]+	120.101906	126.1
[M+Na]+	142.083848	131.9
[M-H]-	118.087354	125.2
[M+NH4]+	137.128453	147.6
[M+K]+	158.057788	132.9
[M+H-H2O]+	102.091890	121.5
[M+HCOO]-	164.092831	148.2
[M+CH3COO]-	178.108481	172.0
[M+Na-2H]-	140.069296	130.7
[M]+	119.09408142	125.8
[M]-	119.09517858	125.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe