CID 44754869

5-bromo-2-methoxypyridin-3-amine

Structural Information

Molecular Formula
C6H7BrN2O
SMILES
COC1=C(C=C(C=N1)Br)N
InChI
InChI=1S/C6H7BrN2O/c1-10-6-5(8)2-4(7)3-9-6/h2-3H,8H2,1H3
InChIKey
HJOOFLFWIISCAI-UHFFFAOYSA-N
Compound name
5-bromo-2-methoxypyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

385
Patents

201.97418 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.98146 133.6
[M+Na]+ 224.96340 137.1
[M+NH4]+ 220.00800 138.4
[M+K]+ 240.93734 137.4
[M-H]- 200.96690 134.2
[M+Na-2H]- 222.94885 137.5
[M]+ 201.97363 133.0
[M]- 201.97473 133.0
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