CID 51827

73599-93-6

Structural Information

Molecular Formula
C18H22O2
SMILES
C1C2CC3(CC1CC(C2)(C3)C(=O)CO)C4=CC=CC=C4
InChI
InChI=1S/C18H22O2/c19-11-16(20)18-9-13-6-14(10-18)8-17(7-13,12-18)15-4-2-1-3-5-15/h1-5,13-14,19H,6-12H2
InChIKey
PULHCWNHJIVEPP-UHFFFAOYSA-N
Compound name
2-hydroxy-1-(3-phenyl-1-adamantyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.162 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.16928 166.0
[M+Na]+ 293.15122 176.3
[M+NH4]+ 288.19582 180.1
[M+K]+ 309.12516 164.1
[M-H]- 269.15472 165.9
[M+Na-2H]- 291.13667 166.4
[M]+ 270.16145 167.8
[M]- 270.16255 167.8
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.