CID 199271

Brn 1531664

Structural Information

Molecular Formula

C₁₄H₂₄N₂O

SMILES

CCCN(CCC)CC#CCN1CCCC1=O

InChI

InChI=1S/C14H24N2O/c1-3-9-15(10-4-2)11-5-6-12-16-13-7-8-14(16)17/h3-4,7-13H2,1-2H3

InChIKey

IKAJETJPQJCSFV-UHFFFAOYSA-N

Compound name

1-[4-(dipropylamino)but-2-ynyl]pyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 236.18886 Da
Monoisotopic Mass: 1.7
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]+	237.196136	155.7
[M+Na]+	259.178078	162.2
[M-H]-	235.181584	156.4
[M+NH4]+	254.222683	172.1
[M+K]+	275.152018	158.9
[M+H-H2O]+	219.186120	141.9
[M+HCOO]-	281.187061	171.5
[M+CH3COO]-	295.202711	203.9
[M+Na-2H]-	257.163526	155.6
[M]+	236.18831142	151.0
[M]-	236.18940858	151.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe