CID 461557

Bgugaine

Structural Information

Molecular Formula

C₁₉H₃₉N

SMILES

CCCCCCCCCCCCCC[C@@H]1CCCN1C

InChI

InChI=1S/C19H39N/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(19)2/h19H,3-18H2,1-2H3/t19-/m1/s1

InChIKey

NCSCAOYXUUEXIP-LJQANCHMSA-N

Compound name

(2R)-1-methyl-2-tetradecylpyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 281.30826 Da
Monoisotopic Mass: 8.0
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]+	282.31554	179.7
[M+Na]+	304.29748	181.6
[M-H]-	280.30098	179.3
[M+NH4]+	299.34208	196.2
[M+K]+	320.27142	177.8
[M+H-H2O]+	264.30552	171.6
[M+HCOO]-	326.30646	197.3
[M+CH3COO]-	340.32211	206.2
[M+Na-2H]-	302.28293	177.3
[M]+	281.30771	181.9
[M]-	281.30881	181.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.