CID 15348371

2-methyl-2-[(methylamino)methyl]propane-1,3-diol

Structural Information

Molecular Formula

C₆H₁₅NO₂

SMILES

CC(CNC)(CO)CO

InChI

InChI=1S/C6H15NO2/c1-6(4-8,5-9)3-7-2/h7-9H,3-5H2,1-2H3

InChIKey

JPDWOAOVCHLDTO-UHFFFAOYSA-N

Compound name

2-methyl-2-(methylaminomethyl)propane-1,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 133.11028 Da
Monoisotopic Mass: -0.9
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]+	134.117556	130.3
[M+Na]+	156.099498	136.2
[M-H]-	132.103004	127.9
[M+NH4]+	151.144103	150.7
[M+K]+	172.073438	135.3
[M+H-H2O]+	116.107540	126.2
[M+HCOO]-	178.108481	151.0
[M+CH3COO]-	192.124131	171.0
[M+Na-2H]-	154.084946	137.1
[M]+	133.10973142	129.3
[M]-	133.11082858	129.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.