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-methylpyridin-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

230.98949 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.99677 138.5
[M+Na]+ 253.97871 151.6
[M-H]- 229.98221 143.0
[M+NH4]+ 249.02331 159.0
[M+K]+ 269.95265 140.8
[M+H-H2O]+ 213.98675 138.5
[M+HCOO]- 275.98769 158.6
[M+CH3COO]- 290.00334 186.1
[M+Na-2H]- 251.96416 145.8
[M]+ 230.98894 159.2
[M]- 230.99004 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