CID 15668202

(1r)-1-(6-bromopyridin-3-yl)ethan-1-ol hydrochloride

Structural Information

Molecular Formula
C7H8BrNO
SMILES
C[C@H](C1=CN=C(C=C1)Br)O
InChI
InChI=1S/C7H8BrNO/c1-5(10)6-2-3-7(8)9-4-6/h2-5,10H,1H3/t5-/m1/s1
InChIKey
QDOJZKXYIAXLDB-RXMQYKEDSA-N
Compound name
(1R)-1-(6-bromo-3-pyridinyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.97893 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.986206 132.9
[M+Na]+ 223.968148 144.5
[M-H]- 199.971654 136.9
[M+NH4]+ 219.012753 153.9
[M+K]+ 239.942088 133.9
[M+H-H2O]+ 183.976190 133.1
[M+HCOO]- 245.977131 152.2
[M+CH3COO]- 259.992781 180.0
[M+Na-2H]- 221.953596 140.8
[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

No patent data available for this compound.