CID 199265

3921-93-5

Structural Information

Molecular Formula

C₁₀H₁₅NO₂

SMILES

CC(=O)OCC#CCN1CCCC1

InChI

InChI=1S/C10H15NO2/c1-10(12)13-9-5-4-8-11-6-2-3-7-11/h2-3,6-9H2,1H3

InChIKey

CMESUIGSCQAVJJ-UHFFFAOYSA-N

Compound name

4-pyrrolidin-1-ylbut-2-ynyl acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 181.11028 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]+	182.11756	140.1
[M+Na]+	204.09950	148.0
[M-H]-	180.10300	140.1
[M+NH4]+	199.14410	158.0
[M+K]+	220.07344	145.2
[M+H-H2O]+	164.10754	127.3
[M+HCOO]-	226.10848	155.1
[M+CH3COO]-	240.12413	186.6
[M+Na-2H]-	202.08495	141.8
[M]+	181.10973	134.1
[M]-	181.11083	134.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe