CID 199270

Pyrrolidine, 1-(4-ethoxy-2-butynyl)-

Structural Information

Molecular Formula

C₁₀H₁₇NO

SMILES

CCOCC#CCN1CCCC1

InChI

InChI=1S/C10H17NO/c1-2-12-10-6-5-9-11-7-3-4-8-11/h2-4,7-10H2,1H3

InChIKey

ZBAFCMGYLCWSKS-UHFFFAOYSA-N

Compound name

1-(4-ethoxybut-2-ynyl)pyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 167.13101 Da
Monoisotopic Mass: 1.0
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]+	168.138286	136.1
[M+Na]+	190.120228	144.0
[M-H]-	166.123734	135.9
[M+NH4]+	185.164833	154.7
[M+K]+	206.094168	140.9
[M+H-H2O]+	150.128270	123.3
[M+HCOO]-	212.129211	151.7
[M+CH3COO]-	226.144861	185.6
[M+Na-2H]-	188.105676	139.1
[M]+	167.13046142	130.1
[M]-	167.13155858	130.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.