CID 131353287

2694734-00-2

Structural Information

Molecular Formula
C9H13N3O2
SMILES
COC(=O)C1=NN2CCC(CC2=C1)N
InChI
InChI=1S/C9H13N3O2/c1-14-9(13)8-5-7-4-6(10)2-3-12(7)11-8/h5-6H,2-4,10H2,1H3
InChIKey
ISEBYZMFXWMRRM-UHFFFAOYSA-N
Compound name
methyl 5-amino-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.10077 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.10805 141.8
[M+Na]+ 218.08999 149.4
[M-H]- 194.09349 143.1
[M+NH4]+ 213.13459 160.9
[M+K]+ 234.06393 147.7
[M+H-H2O]+ 178.09803 134.6
[M+HCOO]- 240.09897 161.5
[M+CH3COO]- 254.11462 184.7
[M+Na-2H]- 216.07544 145.4
[M]+ 195.10022 139.9
[M]- 195.10132 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

No patent data available for this compound.