CID 53403575

1240725-65-8

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

200.97893 Da
Monoisotopic Mass

1.2
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

No literature data available for this compound.

Patent stripe

patents stripe