CID 394533

Nsc698078

Structural Information

Molecular Formula
C15H21NO5
SMILES
CCCCC1=C(C2(C1=O)OCCO2)C(=O)N3CCOCC3
InChI
InChI=1S/C15H21NO5/c1-2-3-4-11-12(14(18)16-5-7-19-8-6-16)15(13(11)17)20-9-10-21-15/h2-10H2,1H3
InChIKey
ITCULHQQCDRXIW-UHFFFAOYSA-N
Compound name
2-butyl-1-(morpholine-4-carbonyl)-5,8-dioxaspiro[3.4]oct-1-en-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.14197 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.149246 158.2
[M+Na]+ 318.131188 161.6
[M-H]- 294.134694 166.3
[M+NH4]+ 313.175793 165.5
[M+K]+ 334.105128 166.5
[M+H-H2O]+ 278.139230 147.5
[M+HCOO]- 340.140171 171.8
[M+CH3COO]- 354.155821 202.1
[M+Na-2H]- 316.116636 161.0
[M]+ 295.14142142 167.6
[M]- 295.14251858 167.6
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.