CID 13778723

Methyl 2-(pyrrolidin-2-yl)propanoate

Structural Information

Molecular Formula

C₈H₁₅NO₂

SMILES

CC(C1CCCN1)C(=O)OC

InChI

InChI=1S/C8H15NO2/c1-6(8(10)11-2)7-4-3-5-9-7/h6-7,9H,3-5H2,1-2H3

InChIKey

DZKNTHMQXGPHLM-UHFFFAOYSA-N

Compound name

methyl 2-pyrrolidin-2-ylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 157.11028 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]+	158.117556	137.0
[M+Na]+	180.099498	142.0
[M-H]-	156.103004	137.2
[M+NH4]+	175.144103	157.3
[M+K]+	196.073438	141.4
[M+H-H2O]+	140.107540	131.0
[M+HCOO]-	202.108481	155.5
[M+CH3COO]-	216.124131	173.3
[M+Na-2H]-	178.084946	138.3
[M]+	157.10973142	133.7
[M]-	157.11082858	133.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe