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-bromopyridin-3-yl)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]+ 201.98621 132.9
[M+Na]+ 223.96815 144.5
[M-H]- 199.97165 136.9
[M+NH4]+ 219.01275 153.9
[M+K]+ 239.94209 133.9
[M+H-H2O]+ 183.97619 133.1
[M+HCOO]- 245.97713 152.2
[M+CH3COO]- 259.99278 180.0
[M+Na-2H]- 221.95360 140.8
[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

literature stripe

Patent stripe

No patent data available for this compound.