CID 53417254

3-(bromomethyl)pyridin-2-amine hydrobromide

Structural Information

Molecular Formula
C6H7BrN2
SMILES
C1=CC(=C(N=C1)N)CBr
InChI
InChI=1S/C6H7BrN2/c7-4-5-2-1-3-9-6(5)8/h1-3H,4H2,(H2,8,9)
InChIKey
ZDLOIYGWNBXDNB-UHFFFAOYSA-N
Compound name
3-(bromomethyl)pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

185.97926 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.986536 128.6
[M+Na]+ 208.968478 140.4
[M-H]- 184.971984 133.4
[M+NH4]+ 204.013083 150.3
[M+K]+ 224.942418 129.4
[M+H-H2O]+ 168.976520 128.1
[M+HCOO]- 230.977461 150.7
[M+CH3COO]- 244.993111 180.8
[M+Na-2H]- 206.953926 138.0
[M]+ 185.97871142 145.2
[M]- 185.97980858 145.2
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