CID 817681

3-amino-5-bromopyridine

Structural Information

Molecular Formula
C5H5BrN2
SMILES
C1=C(C=NC=C1Br)N
InChI
InChI=1S/C5H5BrN2/c6-4-1-5(7)3-8-2-4/h1-3H,7H2
InChIKey
MDQXGHBCDCOOSM-UHFFFAOYSA-N
Compound name
5-bromopyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2159
Patents

171.96361 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.97089 125.9
[M+Na]+ 194.95283 129.7
[M+NH4]+ 189.99743 131.4
[M+K]+ 210.92677 129.7
[M-H]- 170.95633 127.0
[M+Na-2H]- 192.93828 130.8
[M]+ 171.96306 125.5
[M]- 171.96416 125.5
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