CID 167724417

6-bromo-2-ethynylpyridin-3-amine

Structural Information

Molecular Formula
C7H5BrN2
SMILES
C#CC1=C(C=CC(=N1)Br)N
InChI
InChI=1S/C7H5BrN2/c1-2-6-5(9)3-4-7(8)10-6/h1,3-4H,9H2
InChIKey
ZSMJXFBKBREOBX-UHFFFAOYSA-N
Compound name
6-bromo-2-ethynylpyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.96361 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.97089 129.2
[M+Na]+ 218.95283 143.5
[M-H]- 194.95633 131.4
[M+NH4]+ 213.99743 148.2
[M+K]+ 234.92677 131.4
[M+H-H2O]+ 178.96087 122.6
[M+HCOO]- 240.96181 147.6
[M+CH3COO]- 254.97746 191.1
[M+Na-2H]- 216.93828 136.3
[M]+ 195.96306 139.0
[M]- 195.96416 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

No patent data available for this compound.