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]+ 225.997436 138.8
[M+Na]+ 247.979378 152.6
[M-H]- 223.982884 142.7
[M+NH4]+ 243.023983 160.2
[M+K]+ 263.953318 139.9
[M+H-H2O]+ 207.987420 138.2
[M+HCOO]- 269.988361 159.8
[M+CH3COO]- 284.004011 154.0
[M+Na-2H]- 245.964826 147.5
[M]+ 224.98961142 156.3
[M]- 224.99070858 156.3
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