CID 44145017

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

Structural Information

Molecular Formula
C16H33NO4
SMILES
CCCCCCN1CCOCCOCCOCCOCC1
InChI
InChI=1S/C16H33NO4/c1-2-3-4-5-6-17-7-9-18-11-13-20-15-16-21-14-12-19-10-8-17/h2-16H2,1H3
InChIKey
UNDPIHWFQWDTGX-UHFFFAOYSA-N
Compound name
13-hexyl-1,4,7,10-tetraoxa-13-azacyclopentadecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.24097 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.248246 175.8
[M+Na]+ 326.230188 175.6
[M-H]- 302.233694 176.5
[M+NH4]+ 321.274793 180.3
[M+K]+ 342.204128 179.6
[M+H-H2O]+ 286.238230 171.4
[M+HCOO]- 348.239171 185.3
[M+CH3COO]- 362.254821 194.4
[M+Na-2H]- 324.215636 178.3
[M]+ 303.24042142 170.5
[M]- 303.24151858 170.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.