CID 3015553

2-(octadecylamino)ethanol

Structural Information

Molecular Formula

C₂₀H₄₃NO

SMILES

CCCCCCCCCCCCCCCCCCNCCO

InChI

InChI=1S/C20H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19-20-22/h21-22H,2-20H2,1H3

InChIKey

YGCMLNDQGHTAPC-UHFFFAOYSA-N

Compound name

2-(octadecylamino)ethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1624
Patents: 313.33447 Da
Monoisotopic Mass: 7.9
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	188.7
[M+Na]+	336.323688	188.7
[M-H]-	312.327194	184.8
[M+NH4]+	331.368293	202.6
[M+K]+	352.297628	184.4
[M+H-H2O]+	296.331730	181.2
[M+HCOO]-	358.332671	207.6
[M+CH3COO]-	372.348321	213.5
[M+Na-2H]-	334.309136	188.1
[M]+	313.33392142	194.0
[M]-	313.33501858	194.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe