CID 108433

3-(diisobutylamino)propane-1,2-diol

Structural Information

Molecular Formula

C₁₁H₂₅NO₂

SMILES

CC(C)CN(CC(C)C)CC(CO)O

InChI

InChI=1S/C11H25NO2/c1-9(2)5-12(6-10(3)4)7-11(14)8-13/h9-11,13-14H,5-8H2,1-4H3

InChIKey

VWIHYVNDFNINKK-UHFFFAOYSA-N

Compound name

3-[bis(2-methylpropyl)amino]propane-1,2-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 203.18852 Da
Monoisotopic Mass: 1.6
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]+	204.195796	154.6
[M+Na]+	226.177738	157.5
[M-H]-	202.181244	152.7
[M+NH4]+	221.222343	172.6
[M+K]+	242.151678	157.9
[M+H-H2O]+	186.185780	149.0
[M+HCOO]-	248.186721	172.7
[M+CH3COO]-	262.202371	191.9
[M+Na-2H]-	224.163186	153.4
[M]+	203.18797142	155.2
[M]-	203.18906858	155.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe