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]+ 153.065856 127.5
[M+Na]+ 175.047798 137.7
[M-H]- 151.051304 127.3
[M+NH4]+ 170.092403 147.7
[M+K]+ 191.021738 133.6
[M+H-H2O]+ 135.055840 121.6
[M+HCOO]- 197.056781 147.1
[M+CH3COO]- 211.072431 168.1
[M+Na-2H]- 173.033246 133.9
[M]+ 152.05803142 124.4
[M]- 152.05912858 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.