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]+ 256.033156 151.7
[M+Na]+ 278.015098 161.6
[M-H]- 254.018604 159.1
[M+NH4]+ 273.059703 172.6
[M+K]+ 293.989038 151.1
[M+H-H2O]+ 238.023140 150.9
[M+HCOO]- 300.024081 171.6
[M+CH3COO]- 314.039731 189.5
[M+Na-2H]- 276.000546 156.9
[M]+ 255.02533142 168.7
[M]- 255.02642858 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.