CID 226837

2-(dimethylamino)-2-methylpropane-1,3-diol hydrochloride

Structural Information

Molecular Formula

C₆H₁₅NO₂

SMILES

CC(CO)(CO)N(C)C

InChI

InChI=1S/C6H15NO2/c1-6(4-8,5-9)7(2)3/h8-9H,4-5H2,1-3H3

InChIKey

FGHOJUJBJHVRGT-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 147
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]+	134.11756	129.8
[M+Na]+	156.09950	135.9
[M-H]-	132.10300	128.9
[M+NH4]+	151.14410	150.9
[M+K]+	172.07344	136.5
[M+H-H2O]+	116.10754	125.7
[M+HCOO]-	178.10848	151.0
[M+CH3COO]-	192.12413	174.4
[M+Na-2H]-	154.08495	135.9
[M]+	133.10973	130.1
[M]-	133.11083	130.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe