CID 10035731

5-bromo-n3-methylpyridine-2,3-diamine

Structural Information

Molecular Formula
C6H8BrN3
SMILES
CNC1=C(N=CC(=C1)Br)N
InChI
InChI=1S/C6H8BrN3/c1-9-5-2-4(7)3-10-6(5)8/h2-3,9H,1H3,(H2,8,10)
InChIKey
IEZBJIKJXNNYFC-UHFFFAOYSA-N
Compound name
5-bromo-3-N-methylpyridine-2,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
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

literature stripe

Patent stripe

patents stripe