CID 246674

1,6-bis(morpholino)-2,4-hexadiyne

Structural Information

Molecular Formula

C₁₄H₂₀N₂O₂

SMILES

C1COCCN1CC#CC#CCN2CCOCC2

InChI

InChI=1S/C14H20N2O2/c1(3-5-15-7-11-17-12-8-15)2-4-6-16-9-13-18-14-10-16/h5-14H2

InChIKey

ZNXWKPCOJLBLFJ-UHFFFAOYSA-N

Compound name

4-(6-morpholin-4-ylhexa-2,4-diynyl)morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 43
Patents: 248.15248 Da
Monoisotopic Mass: 0.0
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]+	249.15976	185.2
[M+Na]+	271.14170	192.7
[M+NH4]+	266.18630	184.9
[M+K]+	287.11564	182.0
[M-H]-	247.14520	175.7
[M+Na-2H]-	269.12715	181.7
[M]+	248.15193	182.2
[M]-	248.15303	182.2

Literature stripe

literature stripe

Patent stripe

patents stripe