CID 76847135

59376-48-6

Structural Information

Molecular Formula
C10H10ClN3O2
SMILES
CCOC(=O)C1=CN=C2C=NN(C2=C1Cl)C
InChI
InChI=1S/C10H10ClN3O2/c1-3-16-10(15)6-4-12-7-5-13-14(2)9(7)8(6)11/h4-5H,3H2,1-2H3
InChIKey
WMMSNJNJCCSCDZ-UHFFFAOYSA-N
Compound name
ethyl 7-chloro-1-methylpyrazolo[4,3-b]pyridine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.04616 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.053436 148.4
[M+Na]+ 262.035378 161.2
[M-H]- 238.038884 150.0
[M+NH4]+ 257.079983 166.4
[M+K]+ 278.009318 157.0
[M+H-H2O]+ 222.043420 141.1
[M+HCOO]- 284.044361 165.6
[M+CH3COO]- 298.060011 190.3
[M+Na-2H]- 260.020826 153.7
[M]+ 239.04561142 155.6
[M]- 239.04670858 155.6
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.