CID 45791251

6-bromo-n-methyl-3-pyridazinamine

Structural Information

Molecular Formula
C5H6BrN3
SMILES
CNC1=NN=C(C=C1)Br
InChI
InChI=1S/C5H6BrN3/c1-7-5-3-2-4(6)8-9-5/h2-3H,1H3,(H,7,9)
InChIKey
WXAUZVBERHOGOC-UHFFFAOYSA-N
Compound name
6-bromo-N-methylpyridazin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

186.9745 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.98178 126.2
[M+Na]+ 209.96372 138.5
[M-H]- 185.96722 130.3
[M+NH4]+ 205.00832 146.9
[M+K]+ 225.93766 127.9
[M+H-H2O]+ 169.97176 125.2
[M+HCOO]- 231.97270 148.1
[M+CH3COO]- 245.98835 181.2
[M+Na-2H]- 207.94917 137.4
[M]+ 186.97395 144.0
[M]- 186.97505 144.0
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