CID 59511362

Methyl 3-(methoxymethyl)pyrrolidine-3-carboxylate

Structural Information

Molecular Formula

C₈H₁₅NO₃

SMILES

COCC1(CCNC1)C(=O)OC

InChI

InChI=1S/C8H15NO3/c1-11-6-8(7(10)12-2)3-4-9-5-8/h9H,3-6H2,1-2H3

InChIKey

CDHPYWUCTLWZFU-UHFFFAOYSA-N

Compound name

methyl 3-(methoxymethyl)pyrrolidine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 173.1052 Da
Monoisotopic Mass: -0.5
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]+	174.11248	138.4
[M+Na]+	196.09442	144.5
[M-H]-	172.09792	138.8
[M+NH4]+	191.13902	160.1
[M+K]+	212.06836	144.1
[M+H-H2O]+	156.10246	133.1
[M+HCOO]-	218.10340	158.1
[M+CH3COO]-	232.11905	174.0
[M+Na-2H]-	194.07987	142.3
[M]+	173.10465	137.5
[M]-	173.10575	137.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe