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 165.3
[M+Na]+ 293.15122 167.1
[M-H]- 269.15472 162.2
[M+NH4]+ 288.19582 189.1
[M+K]+ 309.12516 162.1
[M+H-H2O]+ 253.15926 156.7
[M+HCOO]- 315.16020 170.1
[M+CH3COO]- 329.17585 172.6
[M+Na-2H]- 291.13667 174.9
[M]+ 270.16145 164.2
[M]- 270.16255 164.2
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.