CID 123435

1,4,10-trioxa-7,13-diazacyclopentadecane

Structural Information

Molecular Formula

C₁₀H₂₂N₂O₃

SMILES

C1COCCNCCOCCOCCN1

InChI

InChI=1S/C10H22N2O3/c1-5-13-6-2-12-4-8-15-10-9-14-7-3-11-1/h11-12H,1-10H2

InChIKey

STHIZMRUXPMSCW-UHFFFAOYSA-N

Compound name

1,4,10-trioxa-7,13-diazacyclopentadecane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 7
References: 417
Patents: 218.16304 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]+	219.170316	150.6
[M+Na]+	241.152258	150.9
[M-H]-	217.155764	147.2
[M+NH4]+	236.196863	156.7
[M+K]+	257.126198	153.2
[M+H-H2O]+	201.160300	146.1
[M+HCOO]-	263.161241	158.5
[M+CH3COO]-	277.176891	157.5
[M+Na-2H]-	239.137706	155.0
[M]+	218.16249142	137.7
[M]-	218.16358858	137.7

Literature stripe

literature stripe

Patent stripe

patents stripe