CID 98815

N-acetoxyethylpyrrolidine

Structural Information

Molecular Formula

C₈H₁₅NO₂

SMILES

CC(=O)OCCN1CCCC1

InChI

InChI=1S/C8H15NO2/c1-8(10)11-7-6-9-4-2-3-5-9/h2-7H2,1H3

InChIKey

UJOVGKWFOULAPW-UHFFFAOYSA-N

Compound name

2-pyrrolidin-1-ylethyl acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 629
Patents: 157.11028 Da
Monoisotopic Mass: 0.6
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	135.9
[M+Na]+	180.099498	141.5
[M-H]-	156.103004	137.3
[M+NH4]+	175.144103	157.0
[M+K]+	196.073438	141.4
[M+H-H2O]+	140.107540	129.5
[M+HCOO]-	202.108481	156.9
[M+CH3COO]-	216.124131	175.1
[M+Na-2H]-	178.084946	138.9
[M]+	157.10973142	135.1
[M]-	157.11082858	135.1

Literature stripe

literature stripe

Patent stripe

patents stripe