CID 14036625

113089-37-5

Structural Information

Molecular Formula

C₉H₁₃NO₃

SMILES

COC(=O)C12CCCN1C(=O)CC2

InChI

InChI=1S/C9H13NO3/c1-13-8(12)9-4-2-6-10(9)7(11)3-5-9/h2-6H2,1H3

InChIKey

JYTGBDMMDXIYLK-UHFFFAOYSA-N

Compound name

methyl 5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 183.08954 Da
Monoisotopic Mass: 0.1
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]+	184.09682	140.1
[M+Na]+	206.07876	147.6
[M-H]-	182.08226	143.0
[M+NH4]+	201.12336	164.9
[M+K]+	222.05270	146.8
[M+H-H2O]+	166.08680	135.3
[M+HCOO]-	228.08774	160.3
[M+CH3COO]-	242.10339	178.1
[M+Na-2H]-	204.06421	142.8
[M]+	183.08899	139.3
[M]-	183.09009	139.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe