CID 574994

85721-30-8

Structural Information

Molecular Formula

C₉H₂₁NO₂

SMILES

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

InChI

InChI=1S/C9H21NO2/c1-7(2)10(8(3)4)5-9(12)6-11/h7-9,11-12H,5-6H2,1-4H3

InChIKey

OYYXNGVBOWXTPN-UHFFFAOYSA-N

Compound name

3-[di(propan-2-yl)amino]propane-1,2-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 314
Patents: 175.15723 Da
Monoisotopic Mass: 0.6
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]+	176.16451	143.1
[M+Na]+	198.14645	149.9
[M+NH4]+	193.19105	149.5
[M+K]+	214.12039	147.3
[M-H]-	174.14995	141.4
[M+Na-2H]-	196.13190	144.1
[M]+	175.15668	143.2
[M]-	175.15778	143.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe