CID 174452

Einecs 286-772-1

Structural Information

Molecular Formula

C₇H₁₅NO₂

SMILES

C1CCN(C1)CC(CO)O

InChI

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

InChIKey

MFPZRSWYUKWRIQ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 2729
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	133.7
[M+Na]+	168.09950	138.5
[M-H]-	144.10300	132.4
[M+NH4]+	163.14410	153.8
[M+K]+	184.07344	137.4
[M+H-H2O]+	128.10754	127.8
[M+HCOO]-	190.10848	151.8
[M+CH3COO]-	204.12413	168.4
[M+Na-2H]-	166.08495	136.2
[M]+	145.10973	129.6
[M]-	145.11083	129.6

Literature stripe

literature stripe

Patent stripe

patents stripe