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: 304
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]+	144.10192	131.2
[M+Na]+	166.08386	140.6
[M+NH4]+	161.12846	138.9
[M+K]+	182.05780	137.8
[M-H]-	142.08736	131.0
[M+Na-2H]-	164.06931	134.6
[M]+	143.09409	132.1
[M]-	143.09519	132.1

Literature stripe

literature stripe

Patent stripe

patents stripe