CID 118046906

2503201-91-8

Structural Information

Molecular Formula
C8H8BrN3
SMILES
CC1=CC2=C(C(=C1)Br)C(=NN2)N
InChI
InChI=1S/C8H8BrN3/c1-4-2-5(9)7-6(3-4)11-12-8(7)10/h2-3H,1H3,(H3,10,11,12)
InChIKey
OECVNPHOPGPKCE-UHFFFAOYSA-N
Compound name
4-bromo-6-methyl-1H-indazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

224.99016 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.997436 139.1
[M+Na]+ 247.979378 153.8
[M-H]- 223.982884 143.3
[M+NH4]+ 243.023983 160.8
[M+K]+ 263.953318 141.0
[M+H-H2O]+ 207.987420 138.7
[M+HCOO]- 269.988361 160.1
[M+CH3COO]- 284.004011 154.6
[M+Na-2H]- 245.964826 147.1
[M]+ 224.98961142 157.0
[M]- 224.99070858 157.0
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