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]+ 232.033156 146.9
[M+Na]+ 254.015098 154.2
[M-H]- 230.018604 146.0
[M+NH4]+ 249.059703 173.5
[M+K]+ 269.989038 144.0
[M+H-H2O]+ 214.023140 148.4
[M+HCOO]- 276.024081 156.7
[M+CH3COO]- 290.039731 158.8
[M+Na-2H]- 252.000546 157.5
[M]+ 231.02533142 162.9
[M]- 231.02642858 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.