CID 15034945

3-[(2-hydroxyethyl)amino]propane-1,2-diol

Structural Information

Molecular Formula

C₅H₁₃NO₃

SMILES

C(CO)NCC(CO)O

InChI

InChI=1S/C5H13NO3/c7-2-1-6-3-5(9)4-8/h5-9H,1-4H2

InChIKey

WDMIBBXCJKNKPN-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 119
Patents: 135.08954 Da
Monoisotopic Mass: -2.2
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]+	136.096816	129.3
[M+Na]+	158.078758	134.4
[M-H]-	134.082264	125.3
[M+NH4]+	153.123363	148.6
[M+K]+	174.052698	133.4
[M+H-H2O]+	118.086800	124.6
[M+HCOO]-	180.087741	149.5
[M+CH3COO]-	194.103391	168.1
[M+Na-2H]-	156.064206	134.1
[M]+	135.08899142	127.2
[M]-	135.09008858	127.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe