CID 21989178

97173-34-7

Structural Information

Molecular Formula

C₆H₁₅NO₃

SMILES

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

InChI

InChI=1S/C6H15NO3/c1-5(8)3-7(10)4-6(2)9/h5-6,8-10H,3-4H2,1-2H3

InChIKey

JYOCWMVETLTCNF-UHFFFAOYSA-N

Compound name

1-[hydroxy(2-hydroxypropyl)amino]propan-2-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 185
Patents: 149.1052 Da
Monoisotopic Mass: -0.7
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]+	150.11248	134.4
[M+Na]+	172.09442	139.1
[M-H]-	148.09792	131.9
[M+NH4]+	167.13902	153.8
[M+K]+	188.06836	139.9
[M+H-H2O]+	132.10246	129.6
[M+HCOO]-	194.10340	153.9
[M+CH3COO]-	208.11905	175.5
[M+Na-2H]-	170.07987	136.6
[M]+	149.10465	133.4
[M]-	149.10575	133.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe