CID 130160802

(5-bromo-3-methoxypyridin-2-yl)methanamine

Structural Information

Molecular Formula
C7H9BrN2O
SMILES
COC1=C(N=CC(=C1)Br)CN
InChI
InChI=1S/C7H9BrN2O/c1-11-7-2-5(8)4-10-6(7)3-9/h2,4H,3,9H2,1H3
InChIKey
BPMZDHQFIWMNCG-UHFFFAOYSA-N
Compound name
(5-bromo-3-methoxypyridin-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.98982 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.99710 138.1
[M+Na]+ 238.97904 141.4
[M+NH4]+ 234.02364 142.8
[M+K]+ 254.95298 141.6
[M-H]- 214.98254 138.8
[M+Na-2H]- 236.96449 141.8
[M]+ 215.98927 137.5
[M]- 215.99037 137.5
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.