CID 45789786

5-bromo-3-ethynylpyridin-2-ylamine

Structural Information

Molecular Formula
C7H5BrN2
SMILES
C#CC1=C(N=CC(=C1)Br)N
InChI
InChI=1S/C7H5BrN2/c1-2-5-3-6(8)4-10-7(5)9/h1,3-4H,(H2,9,10)
InChIKey
MKIMFNOYJFCQRQ-UHFFFAOYSA-N
Compound name
5-bromo-3-ethynylpyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

195.96361 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.970886 129.2
[M+Na]+ 218.952828 143.5
[M-H]- 194.956334 131.4
[M+NH4]+ 213.997433 148.2
[M+K]+ 234.926768 131.4
[M+H-H2O]+ 178.960870 122.6
[M+HCOO]- 240.961811 147.6
[M+CH3COO]- 254.977461 191.1
[M+Na-2H]- 216.938276 136.3
[M]+ 195.96306142 139.0
[M]- 195.96415858 139.0
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

patents stripe