CID 87483726

6-bromo-n3-methylpyridine-3,4-diamine

Structural Information

Molecular Formula
C6H8BrN3
SMILES
CNC1=CN=C(C=C1N)Br
InChI
InChI=1S/C6H8BrN3/c1-9-5-3-10-6(7)2-4(5)8/h2-3,9H,1H3,(H2,8,10)
InChIKey
WTJXYGZHIVWLOS-UHFFFAOYSA-N
Compound name
6-bromo-3-N-methylpyridine-3,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
Patents

200.99016 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.99744 131.9
[M+Na]+ 223.97938 143.6
[M-H]- 199.98288 136.9
[M+NH4]+ 219.02398 152.8
[M+K]+ 239.95332 132.2
[M+H-H2O]+ 183.98742 130.6
[M+HCOO]- 245.98836 154.8
[M+CH3COO]- 260.00401 186.5
[M+Na-2H]- 221.96483 140.8
[M]+ 200.98961 148.1
[M]- 200.99071 148.1
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