CID 60042

1112-24-9

Structural Information

Molecular Formula

C₆H₁₅NO₃

SMILES

CN(C)C(CO)(CO)CO

InChI

InChI=1S/C6H15NO3/c1-7(2)6(3-8,4-9)5-10/h8-10H,3-5H2,1-2H3

InChIKey

FGLZHYIVVZTBQJ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 336
Patents: 149.1052 Da
Monoisotopic Mass: -1.9
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]+	150.11248	131.9
[M+Na]+	172.09442	139.0
[M+NH4]+	167.13902	137.9
[M+K]+	188.06836	136.7
[M-H]-	148.09792	129.2
[M+Na-2H]-	170.07987	133.6
[M]+	149.10465	131.7
[M]-	149.10575	131.7

Literature stripe

literature stripe

Patent stripe

patents stripe