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]+ 201.997436 131.9
[M+Na]+ 223.979378 143.6
[M-H]- 199.982884 136.9
[M+NH4]+ 219.023983 152.8
[M+K]+ 239.953318 132.2
[M+H-H2O]+ 183.987420 130.6
[M+HCOO]- 245.988361 154.8
[M+CH3COO]- 260.004011 186.5
[M+Na-2H]- 221.964826 140.8
[M]+ 200.98961142 148.1
[M]- 200.99070858 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