CID 97046903

1420043-44-2

Structural Information

Molecular Formula
C8H8BrN3
SMILES
C1=C(C=C2C(=C1CN)C=NN2)Br
InChI
InChI=1S/C8H8BrN3/c9-6-1-5(3-10)7-4-11-12-8(7)2-6/h1-2,4H,3,10H2,(H,11,12)
InChIKey
ZEVLHWXCTIUJHA-UHFFFAOYSA-N
Compound name
(6-bromo-1H-indazol-4-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

224.99016 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.99744 143.8
[M+Na]+ 247.97938 147.2
[M+NH4]+ 243.02398 148.5
[M+K]+ 263.95332 148.3
[M-H]- 223.98288 143.9
[M+Na-2H]- 245.96483 146.7
[M]+ 224.98961 143.0
[M]- 224.99071 143.0
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