CID 5080255

83585-61-9

Structural Information

Molecular Formula

C₁₃H₂₇NO₆

SMILES

C1COCCOCCOC(COCCOCCO1)CN

InChI

InChI=1S/C13H27NO6/c14-11-13-12-19-8-7-17-4-3-15-1-2-16-5-6-18-9-10-20-13/h13H,1-12,14H2

InChIKey

BJUGHLWDFGGTGJ-UHFFFAOYSA-N

Compound name

1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 282
Patents: 293.18384 Da
Monoisotopic Mass: -1.8
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]+	294.19112	168.5
[M+Na]+	316.17306	175.4
[M+NH4]+	311.21766	172.7
[M+K]+	332.14700	173.6
[M-H]-	292.17656	178.0
[M+Na-2H]-	314.15851	168.9
[M]+	293.18329	171.5
[M]-	293.18439	171.5

Literature stripe

literature stripe

Patent stripe

patents stripe