CID 165913973

2252255-94-8

Structural Information

Molecular Formula

C₁₀H₂₁NO₅

SMILES

COC(=O)CCOCCOCCOCCN

InChI

InChI=1S/C10H21NO5/c1-13-10(12)2-4-14-6-8-16-9-7-15-5-3-11/h2-9,11H2,1H3

InChIKey

NJIMVFSNXVEFAH-UHFFFAOYSA-N

Compound name

methyl 3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 235.14197 Da
Monoisotopic Mass: -1.3
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]+	236.14925	154.0
[M+Na]+	258.13119	158.5
[M-H]-	234.13469	152.8
[M+NH4]+	253.17579	171.1
[M+K]+	274.10513	159.1
[M+H-H2O]+	218.13923	147.4
[M+HCOO]-	280.14017	177.2
[M+CH3COO]-	294.15582	192.7
[M+Na-2H]-	256.11664	157.0
[M]+	235.14142	160.8
[M]-	235.14252	160.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe