CID 101022

59352-90-8

Structural Information

Molecular Formula
C6H8BrN3
SMILES
CC1=C(C=C(C(=N1)N)N)Br
InChI
InChI=1S/C6H8BrN3/c1-3-4(7)2-5(8)6(9)10-3/h2H,8H2,1H3,(H2,9,10)
InChIKey
XFHAYQGHHKCVBA-UHFFFAOYSA-N
Compound name
5-bromo-6-methylpyridine-2,3-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

114
Patents

200.99016 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.99744 135.0
[M+Na]+ 223.97938 137.8
[M+NH4]+ 219.02398 139.7
[M+K]+ 239.95332 138.4
[M-H]- 199.98288 136.2
[M+Na-2H]- 221.96483 138.3
[M]+ 200.98961 134.4
[M]- 200.99071 134.4
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

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