CID 58201198

(5-bromo-4-methoxy-3-methylpyridin-2-yl)methanol

Structural Information

Molecular Formula
C8H10BrNO2
SMILES
CC1=C(C(=CN=C1CO)Br)OC
InChI
InChI=1S/C8H10BrNO2/c1-5-7(4-11)10-3-6(9)8(5)12-2/h3,11H,4H2,1-2H3
InChIKey
GUDUFFNMWWARFC-UHFFFAOYSA-N
Compound name
(5-bromo-4-methoxy-3-methyl-2-pyridinyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

230.98949 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.996766 138.5
[M+Na]+ 253.978708 151.6
[M-H]- 229.982214 143.0
[M+NH4]+ 249.023313 159.0
[M+K]+ 269.952648 140.8
[M+H-H2O]+ 213.986750 138.5
[M+HCOO]- 275.987691 158.6
[M+CH3COO]- 290.003341 186.1
[M+Na-2H]- 251.964156 145.8
[M]+ 230.98894142 159.2
[M]- 230.99003858 159.2
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

patents stripe