CID 10198598

1,14-diamino-3,6,9,12-tetraoxatetradecane

Structural Information

Molecular Formula

C₁₀H₂₄N₂O₄

SMILES

C(COCCOCCOCCOCCN)N

InChI

InChI=1S/C10H24N2O4/c11-1-3-13-5-7-15-9-10-16-8-6-14-4-2-12/h1-12H2

InChIKey

IFZOPNLVYZYSMQ-UHFFFAOYSA-N

Compound name

2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 770
Patents: 236.17361 Da
Monoisotopic Mass: -2.2
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]+	237.18089	154.1
[M+Na]+	259.16283	157.5
[M-H]-	235.16633	152.1
[M+NH4]+	254.20743	170.5
[M+K]+	275.13677	157.4
[M+H-H2O]+	219.17087	146.9
[M+HCOO]-	281.17181	178.2
[M+CH3COO]-	295.18746	195.9
[M+Na-2H]-	257.14828	157.6
[M]+	236.17306	158.9
[M]-	236.17416	158.9

Literature stripe

literature stripe

Patent stripe

patents stripe