CID 19039811

1353970-68-9

Structural Information

Molecular Formula

C₇H₁₅NO₂

SMILES

COC1CCN(C1)CCO

InChI

InChI=1S/C7H15NO2/c1-10-7-2-3-8(6-7)4-5-9/h7,9H,2-6H2,1H3

InChIKey

KECYLCNFKHGWCG-UHFFFAOYSA-N

Compound name

2-(3-methoxypyrrolidin-1-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 55
Patents: 145.11028 Da
Monoisotopic Mass: -0.4
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	131.9
[M+Na]+	168.09950	138.4
[M-H]-	144.10300	132.3
[M+NH4]+	163.14410	153.1
[M+K]+	184.07344	137.7
[M+H-H2O]+	128.10754	126.1
[M+HCOO]-	190.10848	152.5
[M+CH3COO]-	204.12413	171.3
[M+Na-2H]-	166.08495	135.6
[M]+	145.10973	130.7
[M]-	145.11083	130.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe