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-methoxy-2-pyridinyl)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]+ 216.997096 135.6
[M+Na]+ 238.979038 147.8
[M-H]- 214.982544 140.6
[M+NH4]+ 234.023643 156.4
[M+K]+ 254.952978 136.9
[M+H-H2O]+ 198.987080 134.8
[M+HCOO]- 260.988021 157.6
[M+CH3COO]- 275.003671 186.6
[M+Na-2H]- 236.964486 143.7
[M]+ 215.98927142 154.3
[M]- 215.99036858 154.3
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.