CID 22678492

(5-bromo-2-methoxypyridin-3-yl)methanol

Structural Information

Molecular Formula
C7H8BrNO2
SMILES
COC1=C(C=C(C=N1)Br)CO
InChI
InChI=1S/C7H8BrNO2/c1-11-7-5(4-10)2-6(8)3-9-7/h2-3,10H,4H2,1H3
InChIKey
PQCNLQJWEVAXSY-UHFFFAOYSA-N
Compound name
(5-bromo-2-methoxypyridin-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

216.97385 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.98113 134.5
[M+Na]+ 239.96307 147.0
[M-H]- 215.96657 138.8
[M+NH4]+ 235.00767 155.1
[M+K]+ 255.93701 136.5
[M+H-H2O]+ 199.97111 134.5
[M+HCOO]- 261.97205 154.9
[M+CH3COO]- 275.98770 182.2
[M+Na-2H]- 237.94852 142.9
[M]+ 216.97330 154.4
[M]- 216.97440 154.4
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

patents stripe