CID 10125141

5-bromo-4-methylpyridine-2,3-diamine

Structural Information

Molecular Formula
C6H8BrN3
SMILES
CC1=C(C(=NC=C1Br)N)N
InChI
InChI=1S/C6H8BrN3/c1-3-4(7)2-10-6(9)5(3)8/h2H,8H2,1H3,(H2,9,10)
InChIKey
FYWHWEYTENZRRF-UHFFFAOYSA-N
Compound name
5-bromo-4-methylpyridine-2,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

171
Patents

200.99016 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.997436 132.9
[M+Na]+ 223.979378 145.4
[M-H]- 199.982884 137.7
[M+NH4]+ 219.023983 153.8
[M+K]+ 239.953318 133.6
[M+H-H2O]+ 183.987420 131.7
[M+HCOO]- 245.988361 155.1
[M+CH3COO]- 260.004011 187.0
[M+Na-2H]- 221.964826 139.9
[M]+ 200.98961142 148.4
[M]- 200.99070858 148.4
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