CID 66369579

2470437-96-6

Structural Information

Molecular Formula
C8H14BrNO
SMILES
C1CC2CN(CC1O2)CCBr
InChI
InChI=1S/C8H14BrNO/c9-3-4-10-5-7-1-2-8(6-10)11-7/h7-8H,1-6H2
InChIKey
NLWCIIPPWOSSCK-UHFFFAOYSA-N
Compound name
3-(2-bromoethyl)-8-oxa-3-azabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.02588 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.033156 145.0
[M+Na]+ 242.015098 154.8
[M-H]- 218.018604 149.2
[M+NH4]+ 237.059703 167.8
[M+K]+ 257.989038 146.0
[M+H-H2O]+ 202.023140 145.6
[M+HCOO]- 264.024081 160.4
[M+CH3COO]- 278.039731 184.5
[M+Na-2H]- 240.000546 151.9
[M]+ 219.02533142 161.8
[M]- 219.02642858 161.8
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.