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]+ 296.14925 158.2
[M+Na]+ 318.13119 161.6
[M-H]- 294.13469 166.3
[M+NH4]+ 313.17579 165.5
[M+K]+ 334.10513 166.5
[M+H-H2O]+ 278.13923 147.5
[M+HCOO]- 340.14017 171.8
[M+CH3COO]- 354.15582 202.1
[M+Na-2H]- 316.11664 161.0
[M]+ 295.14142 167.6
[M]- 295.14252 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.