CID 138040686

2243513-65-5

Structural Information

Molecular Formula
C9H13N3O2
SMILES
CN1C2=C(C=N1)NCC(C2)C(=O)OC
InChI
InChI=1S/C9H13N3O2/c1-12-8-3-6(9(13)14-2)4-10-7(8)5-11-12/h5-6,10H,3-4H2,1-2H3
InChIKey
XIPFNKZNEZJZNV-UHFFFAOYSA-N
Compound name
methyl 1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-6-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 143.3
[M+Na]+ 218.08999 153.6
[M+NH4]+ 213.13459 150.0
[M+K]+ 234.06393 150.9
[M-H]- 194.09349 142.1
[M+Na-2H]- 216.07544 145.9
[M]+ 195.10022 144.0
[M]- 195.10132 144.0
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.