CID 205895

Pn 305

Structural Information

Molecular Formula

C₁₃H₂₀N₂O

SMILES

C1CCN(CC1)CC#CCN2CCCC2=O

InChI

InChI=1S/C13H20N2O/c16-13-7-6-12-15(13)11-5-4-10-14-8-2-1-3-9-14/h1-3,6-12H2

InChIKey

BPXJOVJSPDSBSN-UHFFFAOYSA-N

Compound name

1-(4-piperidin-1-ylbut-2-ynyl)pyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 220.15756 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]+	221.164836	149.7
[M+Na]+	243.146778	156.0
[M-H]-	219.150284	149.9
[M+NH4]+	238.191383	164.5
[M+K]+	259.120718	150.6
[M+H-H2O]+	203.154820	134.9
[M+HCOO]-	265.155761	160.6
[M+CH3COO]-	279.171411	193.2
[M+Na-2H]-	241.132226	149.5
[M]+	220.15701142	138.5
[M]-	220.15810858	138.5

Literature stripe

literature stripe

Patent stripe

patents stripe