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]+ 271.169276 165.3
[M+Na]+ 293.151218 167.1
[M-H]- 269.154724 162.2
[M+NH4]+ 288.195823 189.1
[M+K]+ 309.125158 162.1
[M+H-H2O]+ 253.159260 156.7
[M+HCOO]- 315.160201 170.1
[M+CH3COO]- 329.175851 172.6
[M+Na-2H]- 291.136666 174.9
[M]+ 270.16145142 164.2
[M]- 270.16254858 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.