CID 544820

1,4,7,10-tetraoxa-13-azacyclopentadecane

Structural Information

Molecular Formula

C₁₀H₂₁NO₄

SMILES

C1COCCOCCOCCOCCN1

InChI

InChI=1S/C10H21NO4/c1-3-12-5-7-14-9-10-15-8-6-13-4-2-11-1/h11H,1-10H2

InChIKey

BJUOQSZSDIHZNP-UHFFFAOYSA-N

Compound name

1,4,7,10-tetraoxa-13-azacyclopentadecane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 1596
Patents: 219.14706 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]+	220.154336	149.2
[M+Na]+	242.136278	150.0
[M-H]-	218.139784	149.2
[M+NH4]+	237.180883	156.0
[M+K]+	258.110218	154.6
[M+H-H2O]+	202.144320	145.8
[M+HCOO]-	264.145261	159.2
[M+CH3COO]-	278.160911	173.3
[M+Na-2H]-	240.121726	155.0
[M]+	219.14651142	139.7
[M]-	219.14760858	139.7

Literature stripe

literature stripe

Patent stripe

patents stripe