CID 91623612

5-bromo-6-methoxy-4-methylpyridin-3-amine

Structural Information

Molecular Formula
C7H9BrN2O
SMILES
CC1=C(C(=NC=C1N)OC)Br
InChI
InChI=1S/C7H9BrN2O/c1-4-5(9)3-10-7(11-2)6(4)8/h3H,9H2,1-2H3
InChIKey
RAOLNPQMPNCOOP-UHFFFAOYSA-N
Compound name
5-bromo-6-methoxy-4-methylpyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.98982 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.997096 135.4
[M+Na]+ 238.979038 148.4
[M-H]- 214.982544 140.7
[M+NH4]+ 234.023643 156.4
[M+K]+ 254.952978 137.5
[M+H-H2O]+ 198.987080 134.7
[M+HCOO]- 260.988021 157.3
[M+CH3COO]- 275.003671 187.7
[M+Na-2H]- 236.964486 142.8
[M]+ 215.98927142 154.4
[M]- 215.99036858 154.4
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

No patent data available for this compound.