CID 53418513

5-iodo-1-methyl-1h-indazol-3-amine

Structural Information

Molecular Formula
C8H8IN3
SMILES
CN1C2=C(C=C(C=C2)I)C(=N1)N
InChI
InChI=1S/C8H8IN3/c1-12-7-3-2-5(9)4-6(7)8(10)11-12/h2-4H,1H3,(H2,10,11)
InChIKey
JRGNBDMFXNNOIJ-UHFFFAOYSA-N
Compound name
5-iodo-1-methylindazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

272.9763 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.98358 136.8
[M+Na]+ 295.96552 141.6
[M-H]- 271.96902 132.6
[M+NH4]+ 291.01012 152.9
[M+K]+ 311.93946 144.0
[M+H-H2O]+ 255.97356 126.7
[M+HCOO]- 317.97450 156.3
[M+CH3COO]- 331.99015 147.1
[M+Na-2H]- 293.95097 132.3
[M]+ 272.97575 135.4
[M]- 272.97685 135.4
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