CID 10867834

6-iodopyridazin-3-amine

Structural Information

Molecular Formula
C4H4IN3
SMILES
C1=CC(=NN=C1N)I
InChI
InChI=1S/C4H4IN3/c5-3-1-2-4(6)8-7-3/h1-2H,(H2,6,8)
InChIKey
QHEUBRHRIJMZOR-UHFFFAOYSA-N
Compound name
6-iodopyridazin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

273
Patents

220.94499 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.95227 127.6
[M+Na]+ 243.93421 129.9
[M-H]- 219.93771 121.8
[M+NH4]+ 238.97881 142.4
[M+K]+ 259.90815 134.0
[M+H-H2O]+ 203.94225 117.3
[M+HCOO]- 265.94319 146.2
[M+CH3COO]- 279.95884 178.8
[M+Na-2H]- 241.91966 124.5
[M]+ 220.94444 123.0
[M]- 220.94554 123.0
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