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
1
Annotation Hits

7
References

426
Patents

218.16304 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.17032 150.6
[M+Na]+ 241.15226 150.9
[M-H]- 217.15576 147.2
[M+NH4]+ 236.19686 156.7
[M+K]+ 257.12620 153.2
[M+H-H2O]+ 201.16030 146.1
[M+HCOO]- 263.16124 158.5
[M+CH3COO]- 277.17689 157.5
[M+Na-2H]- 239.13771 155.0
[M]+ 218.16249 137.7
[M]- 218.16359 137.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe