CID 54595863

3-[(2-methoxyethoxy)methyl]pyrrolidine

Structural Information

Molecular Formula

C₈H₁₇NO₂

SMILES

COCCOCC1CCNC1

InChI

InChI=1S/C8H17NO2/c1-10-4-5-11-7-8-2-3-9-6-8/h8-9H,2-7H2,1H3

InChIKey

OYMPLWUGFWDEPK-UHFFFAOYSA-N

Compound name

3-(2-methoxyethoxymethyl)pyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 159.12593 Da
Monoisotopic Mass: -0.1
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]+	160.13321	136.8
[M+Na]+	182.11515	141.9
[M-H]-	158.11865	136.7
[M+NH4]+	177.15975	157.2
[M+K]+	198.08909	141.0
[M+H-H2O]+	142.12319	130.5
[M+HCOO]-	204.12413	157.1
[M+CH3COO]-	218.13978	173.2
[M+Na-2H]-	180.10060	140.6
[M]+	159.12538	135.6
[M]-	159.12648	135.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.