CID 121801

29247-87-8

Structural Information

Molecular Formula
C6H6IN3O
SMILES
C1=CN=C(C=C1C(=O)NN)I
InChI
InChI=1S/C6H6IN3O/c7-5-3-4(1-2-9-5)6(11)10-8/h1-3H,8H2,(H,10,11)
InChIKey
UBGFSOJYQCZOQB-UHFFFAOYSA-N
Compound name
2-iodopyridine-4-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

3
Patents

262.95557 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.96285 143.8
[M+Na]+ 285.94479 144.3
[M-H]- 261.94829 139.1
[M+NH4]+ 280.98939 157.6
[M+K]+ 301.91873 148.4
[M+H-H2O]+ 245.95283 133.3
[M+HCOO]- 307.95377 163.3
[M+CH3COO]- 321.96942 188.0
[M+Na-2H]- 283.93024 138.1
[M]+ 262.95502 138.5
[M]- 262.95612 138.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe