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

24
Patents

272.9763 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.983576 136.8
[M+Na]+ 295.965518 141.6
[M-H]- 271.969024 132.6
[M+NH4]+ 291.010123 152.9
[M+K]+ 311.939458 144.0
[M+H-H2O]+ 255.973560 126.7
[M+HCOO]- 317.974501 156.3
[M+CH3COO]- 331.990151 147.1
[M+Na-2H]- 293.950966 132.3
[M]+ 272.97575142 135.4
[M]- 272.97684858 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