CID 55264397

1211593-43-9

Structural Information

Molecular Formula

C₈H₁₅NO₂

SMILES

COC(=O)CCC1CCNC1

InChI

InChI=1S/C8H15NO2/c1-11-8(10)3-2-7-4-5-9-6-7/h7,9H,2-6H2,1H3

InChIKey

IGDJQOWNEAVMDD-UHFFFAOYSA-N

Compound name

methyl 3-pyrrolidin-3-ylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 157.11028 Da
Monoisotopic Mass: 0.4
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]+	158.117556	136.6
[M+Na]+	180.099498	141.9
[M-H]-	156.103004	136.7
[M+NH4]+	175.144103	157.0
[M+K]+	196.073438	140.8
[M+H-H2O]+	140.107540	130.5
[M+HCOO]-	202.108481	156.1
[M+CH3COO]-	216.124131	172.4
[M+Na-2H]-	178.084946	139.2
[M]+	157.10973142	134.0
[M]-	157.11082858	134.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe