CID 10878213

40054-01-1

Structural Information

Molecular Formula
C7H8BrNO
SMILES
C1=CC(=NC(=C1)CBr)CO
InChI
InChI=1S/C7H8BrNO/c8-4-6-2-1-3-7(5-10)9-6/h1-3,10H,4-5H2
InChIKey
JLYYQZROGJLCCS-UHFFFAOYSA-N
Compound name
[6-(bromomethyl)-2-pyridinyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

173
Patents

200.97893 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.986206 132.3
[M+Na]+ 223.968148 144.2
[M-H]- 199.971654 136.3
[M+NH4]+ 219.012753 153.4
[M+K]+ 239.942088 133.2
[M+H-H2O]+ 183.976190 132.5
[M+HCOO]- 245.977131 152.6
[M+CH3COO]- 259.992781 179.2
[M+Na-2H]- 221.953596 141.5
[M]+ 200.97838142 150.6
[M]- 200.97947858 150.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe