CID 10921878

139419-63-9

Structural Information

Molecular Formula

C₉H₁₃NO₅

SMILES

COC(=O)[C@@H]1CCCN1C(=O)C(=O)OC

InChI

InChI=1S/C9H13NO5/c1-14-8(12)6-4-3-5-10(6)7(11)9(13)15-2/h6H,3-5H2,1-2H3/t6-/m0/s1

InChIKey

WLWORZVYEMZTCS-LURJTMIESA-N

Compound name

methyl (2S)-1-(2-methoxy-2-oxoacetyl)pyrrolidine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 208
Patents: 215.07938 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]+	216.08666	147.2
[M+Na]+	238.06860	154.1
[M+NH4]+	233.11320	152.0
[M+K]+	254.04254	154.0
[M-H]-	214.07210	144.4
[M+Na-2H]-	236.05405	147.7
[M]+	215.07883	146.6
[M]-	215.07993	146.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe