CID 53403688

1206968-77-5

Structural Information

Molecular Formula
C7H8BrNO
SMILES
C1=CC(=NC=C1Br)CCO
InChI
InChI=1S/C7H8BrNO/c8-6-1-2-7(3-4-10)9-5-6/h1-2,5,10H,3-4H2
InChIKey
RXFPLSUXRPOSOF-UHFFFAOYSA-N
Compound name
2-(5-bromo-2-pyridinyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

117
Patents

200.97893 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.98621 132.3
[M+Na]+ 223.96815 144.2
[M-H]- 199.97165 136.3
[M+NH4]+ 219.01275 153.4
[M+K]+ 239.94209 133.2
[M+H-H2O]+ 183.97619 132.5
[M+HCOO]- 245.97713 152.6
[M+CH3COO]- 259.99278 179.2
[M+Na-2H]- 221.95360 141.5
[M]+ 200.97838 150.6
[M]- 200.97948 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

No literature data available for this compound.

Patent stripe

patents stripe