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

4
Patents

203.03096 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.03824 139.6
[M+Na]+ 226.02018 147.3
[M-H]- 202.02368 138.1
[M+NH4]+ 221.06478 165.1
[M+K]+ 241.99412 137.8
[M+H-H2O]+ 186.02822 140.8
[M+HCOO]- 248.02916 149.3
[M+CH3COO]- 262.04481 152.0
[M+Na-2H]- 224.00563 151.6
[M]+ 203.03041 157.0
[M]- 203.03151 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