CID 43168

Brn 1168242

Structural Information

Molecular Formula
C17H26N2O6
SMILES
C1COCCN1CC2CC3(CC(OC3=O)CN4CCOCC4)C(=O)O2
InChI
InChI=1S/C17H26N2O6/c20-15-17(9-13(24-15)11-18-1-5-22-6-2-18)10-14(25-16(17)21)12-19-3-7-23-8-4-19/h13-14H,1-12H2
InChIKey
AAVPUQJBIGGEBV-UHFFFAOYSA-N
Compound name
3,8-bis(morpholin-4-ylmethyl)-2,7-dioxaspiro[4.4]nonane-1,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.17908 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.18636 181.9
[M+Na]+ 377.16830 184.2
[M-H]- 353.17180 191.3
[M+NH4]+ 372.21290 191.1
[M+K]+ 393.14224 186.3
[M+H-H2O]+ 337.17634 174.8
[M+HCOO]- 399.17728 189.9
[M+CH3COO]- 413.19293 190.2
[M+Na-2H]- 375.15375 179.3
[M]+ 354.17853 177.2
[M]- 354.17963 177.2
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.