CID 68748330

[5-bromo-3-(hydroxymethyl)pyridin-2-yl]methanol hydrochloride

Structural Information

Molecular Formula
C7H8BrNO2
SMILES
C1=C(C=NC(=C1CO)CO)Br
InChI
InChI=1S/C7H8BrNO2/c8-6-1-5(3-10)7(4-11)9-2-6/h1-2,10-11H,3-4H2
InChIKey
UIJUHQDWZRFCAZ-UHFFFAOYSA-N
Compound name
[5-bromo-2-(hydroxymethyl)pyridin-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

112
Patents

216.97385 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.98113 135.6
[M+Na]+ 239.96307 147.7
[M-H]- 215.96657 138.5
[M+NH4]+ 235.00767 155.5
[M+K]+ 255.93701 136.2
[M+H-H2O]+ 199.97111 135.7
[M+HCOO]- 261.97205 154.5
[M+CH3COO]- 275.98770 179.8
[M+Na-2H]- 237.94852 143.5
[M]+ 216.97330 153.7
[M]- 216.97440 153.7
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