CID 261539

4,4'-malonyldimorpholine

Structural Information

Molecular Formula
C11H18N2O4
SMILES
C1COCCN1C(=O)CC(=O)N2CCOCC2
InChI
InChI=1S/C11H18N2O4/c14-10(12-1-5-16-6-2-12)9-11(15)13-3-7-17-8-4-13/h1-9H2
InChIKey
DPNZFWSVHKTMAF-UHFFFAOYSA-N
Compound name
1,3-dimorpholin-4-ylpropane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

13
Patents

242.12666 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.13394 156.2
[M+Na]+ 265.11588 158.0
[M-H]- 241.11938 159.3
[M+NH4]+ 260.16048 166.9
[M+K]+ 281.08982 159.6
[M+H-H2O]+ 225.12392 147.1
[M+HCOO]- 287.12486 167.6
[M+CH3COO]- 301.14051 188.1
[M+Na-2H]- 263.10133 158.9
[M]+ 242.12611 150.8
[M]- 242.12721 150.8
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