CID 165683040

1-(5-bromo-2-methoxy-4-methylpyridin-3-yl)methanamine

Structural Information

Molecular Formula
C8H11BrN2O
SMILES
CC1=C(C(=NC=C1Br)OC)CN
InChI
InChI=1S/C8H11BrN2O/c1-5-6(3-10)8(12-2)11-4-7(5)9/h4H,3,10H2,1-2H3
InChIKey
QNYIQZUSBZKBQH-UHFFFAOYSA-N
Compound name
(5-bromo-2-methoxy-4-methyl-3-pyridinyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.00548 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.012756 140.0
[M+Na]+ 252.994698 152.6
[M-H]- 228.998204 145.1
[M+NH4]+ 248.039303 160.5
[M+K]+ 268.968638 141.5
[M+H-H2O]+ 213.002740 139.1
[M+HCOO]- 275.003681 161.6
[M+CH3COO]- 289.019331 190.6
[M+Na-2H]- 250.980146 146.9
[M]+ 230.00493142 159.3
[M]- 230.00602858 159.3
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.