CID 41768

2-((1-methylheptadecyl)amino)ethanol hydrochloride

Structural Information

Molecular Formula

C₂₀H₄₃NO

SMILES

CCCCCCCCCCCCCCCCC(C)NCCO

InChI

InChI=1S/C20H43NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(2)21-18-19-22/h20-22H,3-19H2,1-2H3

InChIKey

OTNLZBOAYTXLIZ-UHFFFAOYSA-N

Compound name

2-(octadecan-2-ylamino)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 313.33447 Da
Monoisotopic Mass: 7.8
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	190.2
[M+Na]+	336.323688	190.0
[M-H]-	312.327194	186.4
[M+NH4]+	331.368293	204.0
[M+K]+	352.297628	186.1
[M+H-H2O]+	296.331730	182.8
[M+HCOO]-	358.332671	208.1
[M+CH3COO]-	372.348321	214.3
[M+Na-2H]-	334.309136	188.2
[M]+	313.33392142	194.9
[M]-	313.33501858	194.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe