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-methoxy-3-pyridinyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

77
Patents

216.97385 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.981126 134.5
[M+Na]+ 239.963068 147.0
[M-H]- 215.966574 138.8
[M+NH4]+ 235.007673 155.1
[M+K]+ 255.937008 136.5
[M+H-H2O]+ 199.971110 134.5
[M+HCOO]- 261.972051 154.9
[M+CH3COO]- 275.987701 182.2
[M+Na-2H]- 237.948516 142.9
[M]+ 216.97330142 154.4
[M]- 216.97439858 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