CID 54595415

3-iodo-1-methyl-1h-pyrazolo[4,3-b]pyridine

Structural Information

Molecular Formula
C7H6IN3
SMILES
CN1C2=C(C(=N1)I)N=CC=C2
InChI
InChI=1S/C7H6IN3/c1-11-5-3-2-4-9-6(5)7(8)10-11/h2-4H,1H3
InChIKey
NXNLWRAKHMLTGL-UHFFFAOYSA-N
Compound name
3-iodo-1-methylpyrazolo[4,3-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

258.96063 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.967906 127.2
[M+Na]+ 281.949848 132.6
[M-H]- 257.953354 121.9
[M+NH4]+ 276.994453 143.0
[M+K]+ 297.923788 135.5
[M+H-H2O]+ 241.957890 116.7
[M+HCOO]- 303.958831 145.6
[M+CH3COO]- 317.974481 138.0
[M+Na-2H]- 279.935296 125.0
[M]+ 258.96008142 127.3
[M]- 258.96117858 127.3
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