CID 13276280

2731010-20-9

Structural Information

Molecular Formula
C8H14BrN
SMILES
C1CN2CCC1C(C2)CBr
InChI
InChI=1S/C8H14BrN/c9-5-8-6-10-3-1-7(8)2-4-10/h7-8H,1-6H2
InChIKey
KWPUVZRMKACGBI-UHFFFAOYSA-N
Compound name
3-(bromomethyl)-1-azabicyclo[2.2.2]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

203.03096 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.038236 139.6
[M+Na]+ 226.020178 147.3
[M-H]- 202.023684 138.1
[M+NH4]+ 221.064783 165.1
[M+K]+ 241.994118 137.8
[M+H-H2O]+ 186.028220 140.8
[M+HCOO]- 248.029161 149.3
[M+CH3COO]- 262.044811 152.0
[M+Na-2H]- 224.005626 151.6
[M]+ 203.03041142 157.0
[M]- 203.03150858 157.0
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

patents stripe