CID 336545

Ethyl 2-(pyrrolidin-2-yl)acetate hydrochloride

Structural Information

Molecular Formula

C₈H₁₅NO₂

SMILES

CCOC(=O)CC1CCCN1

InChI

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

InChIKey

MYUVDBULNNBWOG-UHFFFAOYSA-N

Compound name

ethyl 2-pyrrolidin-2-ylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 157.11028 Da
Monoisotopic Mass: 0.5
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]+	158.11756	136.6
[M+Na]+	180.09950	141.9
[M-H]-	156.10300	136.7
[M+NH4]+	175.14410	157.0
[M+K]+	196.07344	140.8
[M+H-H2O]+	140.10754	130.5
[M+HCOO]-	202.10848	156.1
[M+CH3COO]-	216.12413	172.4
[M+Na-2H]-	178.08495	139.2
[M]+	157.10973	134.0
[M]-	157.11083	134.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe