CID 3085548

2-octadecyldimethylamine oxide

Structural Information

Molecular Formula

C₂₀H₄₃NO

SMILES

CCCCCCCCCCCCCCCC[C@@H](C)[N+](C)(C)[O-]

InChI

InChI=1S/C20H43NO/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2)21(3,4)22/h20H,5-19H2,1-4H3/t20-/m1/s1

InChIKey

GHKNNRITBAAVJP-HXUWFJFHSA-N

Compound name

(2R)-N,N-dimethyloctadecan-2-amine oxide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2
Patents: 313.33447 Da
Monoisotopic Mass: 8.4
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]+	314.341746	190.6
[M+Na]+	336.323688	191.7
[M-H]-	312.327194	188.7
[M+NH4]+	331.368293	208.4
[M+K]+	352.297628	184.3
[M+H-H2O]+	296.331730	189.0
[M+HCOO]-	358.332671	223.7
[M+CH3COO]-	372.348321	210.8
[M+Na-2H]-	334.309136	191.7
[M]+	313.33392142	194.7
[M]-	313.33501858	194.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe