CID 8086

Diisopropanolamine

Structural Information

Molecular Formula

C₆H₁₅NO₂

SMILES

CC(CNCC(C)O)O

InChI

InChI=1S/C6H15NO2/c1-5(8)3-7-4-6(2)9/h5-9H,3-4H2,1-2H3

InChIKey

LVTYICIALWPMFW-UHFFFAOYSA-N

Compound name

1-(2-hydroxypropylamino)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 11
References: 80843
Patents: 133.11028 Da
Monoisotopic Mass: -0.8
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	131.5
[M+Na]+	156.099498	136.4
[M-H]-	132.103004	128.9
[M+NH4]+	151.144103	151.6
[M+K]+	172.073438	136.2
[M+H-H2O]+	116.107540	126.8
[M+HCOO]-	178.108481	151.7
[M+CH3COO]-	192.124131	172.4
[M+Na-2H]-	154.084946	134.9
[M]+	133.10973142	129.6
[M]-	133.11082858	129.6

Literature stripe

literature stripe

Patent stripe

patents stripe