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-methylpyridin-3-yl)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]+ 231.01276 140.0
[M+Na]+ 252.99470 152.6
[M-H]- 228.99820 145.1
[M+NH4]+ 248.03930 160.5
[M+K]+ 268.96864 141.5
[M+H-H2O]+ 213.00274 139.1
[M+HCOO]- 275.00368 161.6
[M+CH3COO]- 289.01933 190.6
[M+Na-2H]- 250.98015 146.9
[M]+ 230.00493 159.3
[M]- 230.00603 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.