CID 642816

3-amino-2-bromopyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

940
Patents

171.96361 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.97089 124.0
[M+Na]+ 194.95283 136.2
[M-H]- 170.95633 129.0
[M+NH4]+ 189.99743 146.2
[M+K]+ 210.92677 125.4
[M+H-H2O]+ 154.96087 123.7
[M+HCOO]- 216.96181 146.4
[M+CH3COO]- 230.97746 178.0
[M+Na-2H]- 192.93828 133.9
[M]+ 171.96306 140.3
[M]- 171.96416 140.3
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