CID 79799392

2-(bromomethyl)-5-(cyclopentyloxy)pyridine hydrobromide

Structural Information

Molecular Formula
C11H14BrNO
SMILES
C1CCC(C1)OC2=CN=C(C=C2)CBr
InChI
InChI=1S/C11H14BrNO/c12-7-9-5-6-11(8-13-9)14-10-3-1-2-4-10/h5-6,8,10H,1-4,7H2
InChIKey
RMWBXDSASQKEPB-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-5-cyclopentyloxypyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.02588 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.03316 151.7
[M+Na]+ 278.01510 161.6
[M-H]- 254.01860 159.1
[M+NH4]+ 273.05970 172.6
[M+K]+ 293.98904 151.1
[M+H-H2O]+ 238.02314 150.9
[M+HCOO]- 300.02408 171.6
[M+CH3COO]- 314.03973 189.5
[M+Na-2H]- 276.00055 156.9
[M]+ 255.02533 168.7
[M]- 255.02643 168.7
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.