CID 51828

73599-95-8

Structural Information

Molecular Formula
C14H21BrO2
SMILES
CCOCC(=O)C12CC3CC(C1)CC(C3)(C2)Br
InChI
InChI=1S/C14H21BrO2/c1-2-17-8-12(16)13-4-10-3-11(5-13)7-14(15,6-10)9-13/h10-11H,2-9H2,1H3
InChIKey
XHMJLHVKBLAQLN-UHFFFAOYSA-N
Compound name
1-(3-bromo-1-adamantyl)-2-ethoxyethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.07248 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.07976 168.2
[M+Na]+ 323.06170 173.4
[M-H]- 299.06520 166.2
[M+NH4]+ 318.10630 194.8
[M+K]+ 339.03564 163.4
[M+H-H2O]+ 283.06974 168.0
[M+HCOO]- 345.07068 172.7
[M+CH3COO]- 359.08633 177.7
[M+Na-2H]- 321.04715 178.2
[M]+ 300.07193 187.5
[M]- 300.07303 187.5
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.