CID 132327856

2307754-48-7

Structural Information

Molecular Formula

C₈H₁₅NO₂

SMILES

C[C@@H]1CNC[C@H]1CC(=O)OC

InChI

InChI=1S/C8H15NO2/c1-6-4-9-5-7(6)3-8(10)11-2/h6-7,9H,3-5H2,1-2H3/t6-,7-/m1/s1

InChIKey

OCKLEGZWORQWHZ-RNFRBKRXSA-N

Compound name

methyl 2-[(3S,4S)-4-methylpyrrolidin-3-yl]acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
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	136.0
[M+Na]+	180.099498	142.2
[M-H]-	156.103004	136.4
[M+NH4]+	175.144103	156.7
[M+K]+	196.073438	141.1
[M+H-H2O]+	140.107540	130.2
[M+HCOO]-	202.108481	155.5
[M+CH3COO]-	216.124131	173.6
[M+Na-2H]-	178.084946	137.9
[M]+	157.10973142	133.8
[M]-	157.11082858	133.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.