CID 15644051

3-ethoxy-4-(methylamino)cyclobut-3-ene-1,2-dione

Structural Information

Molecular Formula
C7H9NO3
SMILES
CCOC1=C(C(=O)C1=O)NC
InChI
InChI=1S/C7H9NO3/c1-3-11-7-4(8-2)5(9)6(7)10/h8H,3H2,1-2H3
InChIKey
TVUDBAYBOZLIOU-UHFFFAOYSA-N
Compound name
3-ethoxy-4-(methylamino)cyclobut-3-ene-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

155.05824 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.06552 130.8
[M+Na]+ 178.04746 138.0
[M+NH4]+ 173.09206 134.0
[M+K]+ 194.02140 135.1
[M-H]- 154.05096 128.9
[M+Na-2H]- 176.03291 133.4
[M]+ 155.05769 129.9
[M]- 155.05879 129.9
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

patents stripe