CID 358004

Nsc617684

Structural Information

Molecular Formula
C8H8N2O4
SMILES
CC1(C(=O)N2C(=O)CC(=O)N2C1=O)C
InChI
InChI=1S/C8H8N2O4/c1-8(2)6(13)9-4(11)3-5(12)10(9)7(8)14/h3H2,1-2H3
InChIKey
NIFHPGCTHPRFFA-UHFFFAOYSA-N
Compound name
6,6-dimethylpyrazolo[1,2-a]pyrazole-1,3,5,7-tetrone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.0484 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.05568 134.9
[M+Na]+ 219.03762 147.1
[M-H]- 195.04112 138.0
[M+NH4]+ 214.08222 158.8
[M+K]+ 235.01156 145.4
[M+H-H2O]+ 179.04566 131.0
[M+HCOO]- 241.04660 155.7
[M+CH3COO]- 255.06225 183.0
[M+Na-2H]- 217.02307 137.3
[M]+ 196.04785 136.8
[M]- 196.04895 136.8
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.