CID 51340928

581065-95-4

Structural Information

Molecular Formula

C₁₅H₃₁NO₆

SMILES

CC(C)(C)OC(=O)CCOCCOCCOCCOCCN

InChI

InChI=1S/C15H31NO6/c1-15(2,3)22-14(17)4-6-18-8-10-20-12-13-21-11-9-19-7-5-16/h4-13,16H2,1-3H3

InChIKey

PKESARRNSGIDRD-UHFFFAOYSA-N

Compound name

tert-butyl 3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 339
Patents: 321.21515 Da
Monoisotopic Mass: -0.5
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	179.3
[M+Na]+	344.204368	182.0
[M-H]-	320.207874	177.5
[M+NH4]+	339.248973	193.0
[M+K]+	360.178308	182.5
[M+H-H2O]+	304.212410	172.3
[M+HCOO]-	366.213351	199.6
[M+CH3COO]-	380.229001	209.4
[M+Na-2H]-	342.189816	180.8
[M]+	321.21460142	188.8
[M]-	321.21569858	188.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe