CID 91332932

2-(pyrrolidin-1-yl)propane-1,3-diol

Structural Information

Molecular Formula

C₇H₁₅NO₂

SMILES

C1CCN(C1)C(CO)CO

InChI

InChI=1S/C7H15NO2/c9-5-7(6-10)8-3-1-2-4-8/h7,9-10H,1-6H2

InChIKey

DFFIMWGZWCJZEK-UHFFFAOYSA-N

Compound name

2-pyrrolidin-1-ylpropane-1,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 145.11028 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]+	146.11756	132.9
[M+Na]+	168.09950	140.7
[M+NH4]+	163.14410	140.1
[M+K]+	184.07344	138.4
[M-H]-	144.10300	131.8
[M+Na-2H]-	166.08495	135.3
[M]+	145.10973	133.2
[M]-	145.11083	133.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe