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: 159
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	129.8
[M+Na]+	156.099498	135.9
[M-H]-	132.103004	128.9
[M+NH4]+	151.144103	150.9
[M+K]+	172.073438	136.5
[M+H-H2O]+	116.107540	125.7
[M+HCOO]-	178.108481	151.0
[M+CH3COO]-	192.124131	174.4
[M+Na-2H]-	154.084946	135.9
[M]+	133.10973142	130.1
[M]-	133.11082858	130.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe