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

14
Patents

258.96063 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.96791 127.2
[M+Na]+ 281.94985 132.6
[M-H]- 257.95335 121.9
[M+NH4]+ 276.99445 143.0
[M+K]+ 297.92379 135.5
[M+H-H2O]+ 241.95789 116.7
[M+HCOO]- 303.95883 145.6
[M+CH3COO]- 317.97448 138.0
[M+Na-2H]- 279.93530 125.0
[M]+ 258.96008 127.3
[M]- 258.96118 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