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

18
Patents

194.06914 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.07642 139.3
[M+Na]+ 217.05836 148.1
[M-H]- 193.06186 141.3
[M+NH4]+ 212.10296 159.0
[M+K]+ 233.03230 146.6
[M+H-H2O]+ 177.06640 132.5
[M+HCOO]- 239.06734 159.1
[M+CH3COO]- 253.08299 181.7
[M+Na-2H]- 215.04381 143.6
[M]+ 194.06859 139.9
[M]- 194.06969 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