CID 165644293

4-(2-bromopyridin-3-yl)butan-2-ol

Structural Information

Molecular Formula
C9H12BrNO
SMILES
CC(CCC1=C(N=CC=C1)Br)O
InChI
InChI=1S/C9H12BrNO/c1-7(12)4-5-8-3-2-6-11-9(8)10/h2-3,6-7,12H,4-5H2,1H3
InChIKey
RQVRYTMOULUBJG-UHFFFAOYSA-N
Compound name
4-(2-bromopyridin-3-yl)butan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.01022 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.01750 142.2
[M+Na]+ 251.99944 152.9
[M-H]- 228.00294 145.8
[M+NH4]+ 247.04404 162.1
[M+K]+ 267.97338 141.8
[M+H-H2O]+ 212.00748 141.9
[M+HCOO]- 274.00842 160.8
[M+CH3COO]- 288.02407 185.6
[M+Na-2H]- 249.98489 149.0
[M]+ 229.00967 160.5
[M]- 229.01077 160.5
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

No patent data available for this compound.