CID 44558549

Ethyl 1h,4h,5h,6h,7h-pyrazolo[4,3-c]pyridine-3-carboxylate

Structural Information

Molecular Formula
C9H13N3O2
SMILES
CCOC(=O)C1=NNC2=C1CNCC2
InChI
InChI=1S/C9H13N3O2/c1-2-14-9(13)8-6-5-10-4-3-7(6)11-12-8/h10H,2-5H2,1H3,(H,11,12)
InChIKey
PMOHZPNLNJKKRE-UHFFFAOYSA-N
Compound name
ethyl 4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

195.10077 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.108046 143.8
[M+Na]+ 218.089988 150.6
[M-H]- 194.093494 141.2
[M+NH4]+ 213.134593 160.5
[M+K]+ 234.063928 147.4
[M+H-H2O]+ 178.098030 136.3
[M+HCOO]- 240.098971 158.8
[M+CH3COO]- 254.114621 177.1
[M+Na-2H]- 216.075436 147.6
[M]+ 195.10022142 140.1
[M]- 195.10131858 140.1
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