CID 101022

5-bromo-6-methylpyridine-2,3-diamine

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

127
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

literature stripe

Patent stripe

patents stripe