CID 86276539

1-(2-bromopyridin-3-yl)cyclohexan-1-ol

Structural Information

Molecular Formula
C11H14BrNO
SMILES
C1CCC(CC1)(C2=C(N=CC=C2)Br)O
InChI
InChI=1S/C11H14BrNO/c12-10-9(5-4-8-13-10)11(14)6-2-1-3-7-11/h4-5,8,14H,1-3,6-7H2
InChIKey
SRFPBPKLLFLQEN-UHFFFAOYSA-N
Compound name
1-(2-bromopyridin-3-yl)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.02588 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.03316 149.3
[M+Na]+ 278.01510 158.5
[M-H]- 254.01860 155.4
[M+NH4]+ 273.05970 169.6
[M+K]+ 293.98904 147.4
[M+H-H2O]+ 238.02314 149.2
[M+HCOO]- 300.02408 165.7
[M+CH3COO]- 314.03973 162.7
[M+Na-2H]- 276.00055 156.7
[M]+ 255.02533 163.1
[M]- 255.02643 163.1
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.