CID 91812067

1935580-16-7

Structural Information

Molecular Formula
C8H9N3O3
SMILES
CC1CN2C(=CC(=N2)C(=O)O)C(=O)N1
InChI
InChI=1S/C8H9N3O3/c1-4-3-11-6(7(12)9-4)2-5(10-11)8(13)14/h2,4H,3H2,1H3,(H,9,12)(H,13,14)
InChIKey
PVFMQTPYIIUUBF-UHFFFAOYSA-N
Compound name
6-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.06439 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.07167 141.0
[M+Na]+ 218.05361 150.2
[M-H]- 194.05711 139.3
[M+NH4]+ 213.09821 158.0
[M+K]+ 234.02755 147.0
[M+H-H2O]+ 178.06165 134.3
[M+HCOO]- 240.06259 156.6
[M+CH3COO]- 254.07824 178.6
[M+Na-2H]- 216.03906 143.9
[M]+ 195.06384 138.5
[M]- 195.06494 138.5
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.