CID 160091

Mega-8

Structural Information

Molecular Formula

C₁₅H₃₁NO₆

SMILES

CCCCCCCC(=O)N(C)C[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O

InChI

InChI=1S/C15H31NO6/c1-3-4-5-6-7-8-13(20)16(2)9-11(18)14(21)15(22)12(19)10-17/h11-12,14-15,17-19,21-22H,3-10H2,1-2H3/t11-,12+,14+,15+/m0/s1

InChIKey

SBWGZAXBCCNRTM-CTHBEMJXSA-N

Compound name

N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]octanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 7896
Patents: 321.21515 Da
Monoisotopic Mass: -0.4
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]+	322.222426	182.1
[M+Na]+	344.204368	181.6
[M-H]-	320.207874	175.2
[M+NH4]+	339.248973	192.6
[M+K]+	360.178308	181.6
[M+H-H2O]+	304.212410	175.7
[M+HCOO]-	366.213351	193.6
[M+CH3COO]-	380.229001	205.6
[M+Na-2H]-	342.189816	175.3
[M]+	321.21460142	182.2
[M]-	321.21569858	182.2

Literature stripe

literature stripe

Patent stripe

patents stripe