CID 469994

2-[2-[[2-hydroxy-1-(hydroxymethyl)-1-methyl-ethyl]amino]ethylamino]-2-methyl-propane-1,3-diol

Structural Information

Molecular Formula

C₁₀H₂₄N₂O₄

SMILES

CC(CO)(CO)NCCNC(C)(CO)CO

InChI

InChI=1S/C10H24N2O4/c1-9(5-13,6-14)11-3-4-12-10(2,7-15)8-16/h11-16H,3-8H2,1-2H3

InChIKey

DRWQRAMZWZASDC-UHFFFAOYSA-N

Compound name

2-[2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]ethylamino]-2-methylpropane-1,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 236.17361 Da
Monoisotopic Mass: -2.9
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]+	237.180886	156.2
[M+Na]+	259.162828	158.7
[M-H]-	235.166334	150.2
[M+NH4]+	254.207433	170.4
[M+K]+	275.136768	156.8
[M+H-H2O]+	219.170870	151.2
[M+HCOO]-	281.171811	172.3
[M+CH3COO]-	295.187461	188.4
[M+Na-2H]-	257.148276	161.4
[M]+	236.17306142	154.3
[M]-	236.17415858	154.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.