CID 728972

(e)-1,4-dimorpholinobut-2-ene-1,4-dione

Structural Information

Molecular Formula
C12H18N2O4
SMILES
C1COCCN1C(=O)/C=C/C(=O)N2CCOCC2
InChI
InChI=1S/C12H18N2O4/c15-11(13-3-7-17-8-4-13)1-2-12(16)14-5-9-18-10-6-14/h1-2H,3-10H2/b2-1+
InChIKey
VSUHONUTONSYIV-OWOJBTEDSA-N
Compound name
(E)-1,4-dimorpholin-4-ylbut-2-ene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.12666 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.133936 159.8
[M+Na]+ 277.115878 161.6
[M-H]- 253.119384 162.8
[M+NH4]+ 272.160483 170.1
[M+K]+ 293.089818 162.3
[M+H-H2O]+ 237.123920 150.6
[M+HCOO]- 299.124861 171.1
[M+CH3COO]- 313.140511 189.7
[M+Na-2H]- 275.101326 161.9
[M]+ 254.12611142 154.0
[M]- 254.12720858 154.0
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.