CID 24903740

5-bromo-n4-methylpyridine-3,4-diamine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

200.99016 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.99744 134.9
[M+Na]+ 223.97938 137.7
[M+NH4]+ 219.02398 139.7
[M+K]+ 239.95332 137.9
[M-H]- 199.98288 136.2
[M+Na-2H]- 221.96483 138.9
[M]+ 200.98961 134.3
[M]- 200.99071 134.3
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