CID 23251657

Laburnamine

Structural Information

Molecular Formula

C₁₂H₂₂N₂O

SMILES

CCC(C)C(=O)N[C@H]1CCN2[C@@H]1CCC2

InChI

InChI=1S/C12H22N2O/c1-3-9(2)12(15)13-10-6-8-14-7-4-5-11(10)14/h9-11H,3-8H2,1-2H3,(H,13,15)/t9?,10-,11+/m0/s1

InChIKey

JBALUFGTAJXLSF-QXXIUIOUSA-N

Compound name

N-[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]-2-methylbutanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 210.17322 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]+	211.180496	154.0
[M+Na]+	233.162438	157.9
[M-H]-	209.165944	156.1
[M+NH4]+	228.207043	175.4
[M+K]+	249.136378	156.4
[M+H-H2O]+	193.170480	147.5
[M+HCOO]-	255.171421	172.6
[M+CH3COO]-	269.187071	190.0
[M+Na-2H]-	231.147886	152.9
[M]+	210.17267142	150.4
[M]-	210.17376858	150.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.