CID 50397

Brn 2640917

Structural Information

Molecular Formula
C9H14BrNO
SMILES
C1CC2CCC1CC2(C(=O)N)Br
InChI
InChI=1S/C9H14BrNO/c10-9(8(11)12)5-6-1-3-7(9)4-2-6/h6-7H,1-5H2,(H2,11,12)
InChIKey
NBFJANDWLIQMMD-UHFFFAOYSA-N
Compound name
2-bromobicyclo[2.2.2]octane-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.02588 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.03316 146.9
[M+Na]+ 254.01510 154.2
[M-H]- 230.01860 146.0
[M+NH4]+ 249.05970 173.5
[M+K]+ 269.98904 144.0
[M+H-H2O]+ 214.02314 148.4
[M+HCOO]- 276.02408 156.7
[M+CH3COO]- 290.03973 158.8
[M+Na-2H]- 252.00055 157.5
[M]+ 231.02533 162.9
[M]- 231.02643 162.9
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.