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-bromo-3-pyridinyl)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]+ 256.033156 149.3
[M+Na]+ 278.015098 158.5
[M-H]- 254.018604 155.4
[M+NH4]+ 273.059703 169.6
[M+K]+ 293.989038 147.4
[M+H-H2O]+ 238.023140 149.2
[M+HCOO]- 300.024081 165.7
[M+CH3COO]- 314.039731 162.7
[M+Na-2H]- 276.000546 156.7
[M]+ 255.02533142 163.1
[M]- 255.02642858 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.