CID 469993

1,4-butanediol, 2,2'-[1,2-ethanediylbis(imino)]bis-

Structural Information

Molecular Formula

C₁₀H₂₄N₂O₄

SMILES

C(CO)C(CO)NCCNC(CCO)CO

InChI

InChI=1S/C10H24N2O4/c13-5-1-9(7-15)11-3-4-12-10(8-16)2-6-14/h9-16H,1-8H2

InChIKey

MIQYJRGPXAXABZ-UHFFFAOYSA-N

Compound name

2-[2-(1,4-dihydroxybutan-2-ylamino)ethylamino]butane-1,4-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 236.17361 Da
Monoisotopic Mass: -2.5
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]+	237.180886	157.1
[M+Na]+	259.162828	158.4
[M-H]-	235.166334	150.7
[M+NH4]+	254.207433	171.0
[M+K]+	275.136768	156.6
[M+H-H2O]+	219.170870	150.8
[M+HCOO]-	281.171811	174.4
[M+CH3COO]-	295.187461	189.3
[M+Na-2H]-	257.148276	157.9
[M]+	236.17306142	154.9
[M]-	236.17415858	154.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.