CID 370506

Nsc643727

Structural Information

Molecular Formula

C₁₉H₃₃N

SMILES

C=CCCCCC1CCC2N1C(CC2)CCCCC=C

InChI

InChI=1S/C19H33N/c1-3-5-7-9-11-17-13-15-19-16-14-18(20(17)19)12-10-8-6-4-2/h3-4,17-19H,1-2,5-16H2

InChIKey

ALDGBHHVYHPHIJ-UHFFFAOYSA-N

Compound name

3,5-bis(hex-5-enyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 275.2613 Da
Monoisotopic Mass: 6.2
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]+	276.26858	176.9
[M+Na]+	298.25052	180.5
[M-H]-	274.25402	177.9
[M+NH4]+	293.29512	196.4
[M+K]+	314.22446	175.1
[M+H-H2O]+	258.25856	169.8
[M+HCOO]-	320.25950	194.0
[M+CH3COO]-	334.27515	203.5
[M+Na-2H]-	296.23597	173.1
[M]+	275.26075	176.0
[M]-	275.26185	176.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.