CID 75466415

1708268-35-2

Structural Information

Molecular Formula
C9H10N2O3
SMILES
COC(=O)C1=NN2CCCC(=O)C2=C1
InChI
InChI=1S/C9H10N2O3/c1-14-9(13)6-5-7-8(12)3-2-4-11(7)10-6/h5H,2-4H2,1H3
InChIKey
XBOCSBQAVDRVGE-UHFFFAOYSA-N
Compound name
methyl 4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

194.06914 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.076416 139.3
[M+Na]+ 217.058358 148.1
[M-H]- 193.061864 141.3
[M+NH4]+ 212.102963 159.0
[M+K]+ 233.032298 146.6
[M+H-H2O]+ 177.066400 132.5
[M+HCOO]- 239.067341 159.1
[M+CH3COO]- 253.082991 181.7
[M+Na-2H]- 215.043806 143.6
[M]+ 194.06859142 139.9
[M]- 194.06968858 139.9
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