CID 3016250

41121-04-4

Structural Information

Molecular Formula

C₁₄H₃₁NO₆

SMILES

COCCOCCOCCNCCOCCOCCOC

InChI

InChI=1S/C14H31NO6/c1-16-7-9-20-13-11-18-5-3-15-4-6-19-12-14-21-10-8-17-2/h15H,3-14H2,1-2H3

InChIKey

NBTVYAUPXIBYLV-UHFFFAOYSA-N

Compound name

2-[2-(2-methoxyethoxy)ethoxy]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 36
Patents: 309.21515 Da
Monoisotopic Mass: -1.1
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]+	310.222426	173.3
[M+Na]+	332.204368	175.8
[M-H]-	308.207874	171.7
[M+NH4]+	327.248973	187.6
[M+K]+	348.178308	176.5
[M+H-H2O]+	292.212410	165.5
[M+HCOO]-	354.213351	196.8
[M+CH3COO]-	368.229001	208.0
[M+Na-2H]-	330.189816	176.8
[M]+	309.21460142	185.5
[M]-	309.21569858	185.5

Literature stripe

literature stripe

Patent stripe

patents stripe