CID 394532

Nsc698077

Structural Information

Molecular Formula
C15H22ClNO4
SMILES
CCCCC1=C(C2(C1Cl)OCCO2)C(=O)N3CCOCC3
InChI
InChI=1S/C15H22ClNO4/c1-2-3-4-11-12(14(18)17-5-7-19-8-6-17)15(13(11)16)20-9-10-21-15/h13H,2-10H2,1H3
InChIKey
QMYSHIMJYRDCNI-UHFFFAOYSA-N
Compound name
(2-butyl-1-chloro-5,8-dioxaspiro[3.4]oct-2-en-3-yl)-morpholin-4-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.12375 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.13103 161.1
[M+Na]+ 338.11297 165.4
[M-H]- 314.11647 169.0
[M+NH4]+ 333.15757 168.7
[M+K]+ 354.08691 168.3
[M+H-H2O]+ 298.12101 150.9
[M+HCOO]- 360.12195 170.0
[M+CH3COO]- 374.13760 204.1
[M+Na-2H]- 336.09842 163.4
[M]+ 315.12320 171.6
[M]- 315.12430 171.6
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.