CID 61993270

[5-bromo-2-(dimethylamino)pyridin-3-yl]methanol

Structural Information

Molecular Formula
C8H11BrN2O
SMILES
CN(C)C1=C(C=C(C=N1)Br)CO
InChI
InChI=1S/C8H11BrN2O/c1-11(2)8-6(5-12)3-7(9)4-10-8/h3-4,12H,5H2,1-2H3
InChIKey
CLXKXAKMLYEKKF-UHFFFAOYSA-N
Compound name
[5-bromo-2-(dimethylamino)pyridin-3-yl]methanol
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 141.1
[M+Na]+ 252.99470 144.2
[M+NH4]+ 248.03930 145.6
[M+K]+ 268.96864 144.7
[M-H]- 228.99820 141.7
[M+Na-2H]- 250.98015 144.7
[M]+ 230.00493 140.4
[M]- 230.00603 140.4
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.