CID 55287715

2418671-57-3

Structural Information

Molecular Formula

C₇H₁₅NO₂

SMILES

CC(CO)(C1CCNC1)O

InChI

InChI=1S/C7H15NO2/c1-7(10,5-9)6-2-3-8-4-6/h6,8-10H,2-5H2,1H3

InChIKey

GQLZSMGMYJAKGW-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 145.11028 Da
Monoisotopic Mass: -0.9
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	132.2
[M+Na]+	168.09950	139.5
[M+NH4]+	163.14410	139.0
[M+K]+	184.07344	138.0
[M-H]-	144.10300	130.2
[M+Na-2H]-	166.08495	134.4
[M]+	145.10973	132.2
[M]-	145.11083	132.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe