CID 15273879

3-amino-4-(dimethylamino)cyclobut-3-ene-1,2-dione

Structural Information

Molecular Formula
C6H8N2O2
SMILES
CN(C)C1=C(C(=O)C1=O)N
InChI
InChI=1S/C6H8N2O2/c1-8(2)4-3(7)5(9)6(4)10/h7H2,1-2H3
InChIKey
CFEUDNVBUBDBGS-UHFFFAOYSA-N
Compound name
3-amino-4-(dimethylamino)cyclobut-3-ene-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

140.05858 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.065856 126.9
[M+Na]+ 163.047798 135.5
[M-H]- 139.051304 132.7
[M+NH4]+ 158.092403 142.3
[M+K]+ 179.021738 138.6
[M+H-H2O]+ 123.055840 115.7
[M+HCOO]- 185.056781 154.0
[M+CH3COO]- 199.072431 186.0
[M+Na-2H]- 161.033246 131.5
[M]+ 140.05803142 137.6
[M]- 140.05912858 137.6
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

patents stripe