CID 51825

73599-91-4

Structural Information

Molecular Formula
C12H17BrO2
SMILES
C1C2CC3(CC1CC(C2)(C3)Br)C(=O)CO
InChI
InChI=1S/C12H17BrO2/c13-12-4-8-1-9(5-12)3-11(2-8,7-12)10(15)6-14/h8-9,14H,1-7H2
InChIKey
YWVFMLCVBBEZGP-UHFFFAOYSA-N
Compound name
1-(3-bromo-1-adamantyl)-2-hydroxyethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.0412 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.04848 160.1
[M+Na]+ 295.03042 166.0
[M-H]- 271.03392 157.3
[M+NH4]+ 290.07502 187.3
[M+K]+ 311.00436 155.5
[M+H-H2O]+ 255.03846 160.7
[M+HCOO]- 317.03940 164.0
[M+CH3COO]- 331.05505 170.0
[M+Na-2H]- 293.01587 170.9
[M]+ 272.04065 177.5
[M]- 272.04175 177.5
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.