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[4,5-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]+ 196.108046 143.5
[M+Na]+ 218.089988 151.6
[M-H]- 194.093494 142.6
[M+NH4]+ 213.134593 161.1
[M+K]+ 234.063928 149.2
[M+H-H2O]+ 178.098030 136.0
[M+HCOO]- 240.098971 159.9
[M+CH3COO]- 254.114621 180.8
[M+Na-2H]- 216.075436 146.9
[M]+ 195.10022142 142.0
[M]- 195.10131858 142.0
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.