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]+ 255.13394 159.8
[M+Na]+ 277.11588 161.6
[M-H]- 253.11938 162.8
[M+NH4]+ 272.16048 170.1
[M+K]+ 293.08982 162.3
[M+H-H2O]+ 237.12392 150.6
[M+HCOO]- 299.12486 171.1
[M+CH3COO]- 313.14051 189.7
[M+Na-2H]- 275.10133 161.9
[M]+ 254.12611 154.0
[M]- 254.12721 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.