CID 121553469

1195168-04-7

Structural Information

Molecular Formula
C7H8N2O2
SMILES
C1CC2=C(C1)NNC(=O)C2=O
InChI
InChI=1S/C7H8N2O2/c10-6-4-2-1-3-5(4)8-9-7(6)11/h1-3H2,(H,8,10)(H,9,11)
InChIKey
RSJKYGKPDVTTGW-UHFFFAOYSA-N
Compound name
2,5,6,7-tetrahydro-1H-cyclopenta[c]pyridazine-3,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.05858 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.06586 127.5
[M+Na]+ 175.04780 137.7
[M-H]- 151.05130 127.3
[M+NH4]+ 170.09240 147.7
[M+K]+ 191.02174 133.6
[M+H-H2O]+ 135.05584 121.6
[M+HCOO]- 197.05678 147.1
[M+CH3COO]- 211.07243 168.1
[M+Na-2H]- 173.03325 133.9
[M]+ 152.05803 124.4
[M]- 152.05913 124.4
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.