CID 30903

22041-18-5

Structural Information

Molecular Formula

C₇H₁₃NO₂

SMILES

COC(=O)CN1CCCC1

InChI

InChI=1S/C7H13NO2/c1-10-7(9)6-8-4-2-3-5-8/h2-6H2,1H3

InChIKey

BMWOSLXYXGTLAR-UHFFFAOYSA-N

Compound name

methyl 2-pyrrolidin-1-ylacetate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 636
Patents: 143.09464 Da
Monoisotopic Mass: 0.7
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]+	144.101916	131.2
[M+Na]+	166.083858	137.3
[M-H]-	142.087364	132.9
[M+NH4]+	161.128463	152.9
[M+K]+	182.057798	137.5
[M+H-H2O]+	126.091900	125.1
[M+HCOO]-	188.092841	152.6
[M+CH3COO]-	202.108491	172.1
[M+Na-2H]-	164.069306	134.8
[M]+	143.09409142	130.1
[M]-	143.09518858	130.1

Literature stripe

literature stripe

Patent stripe

patents stripe