CID 529062

Methyl 1-methylpyrrolidine-2-carboxylate

Structural Information

Molecular Formula

C₇H₁₃NO₂

SMILES

CN1CCCC1C(=O)OC

InChI

InChI=1S/C7H13NO2/c1-8-5-3-4-6(8)7(9)10-2/h6H,3-5H2,1-2H3

InChIKey

WBXUFOSSZLFNPQ-UHFFFAOYSA-N

Compound name

methyl 1-methylpyrrolidine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 326
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	130.4
[M+Na]+	166.083858	137.5
[M-H]-	142.087364	132.5
[M+NH4]+	161.128463	152.4
[M+K]+	182.057798	137.6
[M+H-H2O]+	126.091900	124.7
[M+HCOO]-	188.092841	151.8
[M+CH3COO]-	202.108491	173.2
[M+Na-2H]-	164.069306	133.4
[M]+	143.09409142	129.7
[M]-	143.09518858	129.7

Literature stripe

literature stripe

Patent stripe

patents stripe