CID 571171

2-phenyl-adamantan-2-ol

Structural Information

Molecular Formula
C16H20O
SMILES
C1C2CC3CC1CC(C2)C3(C4=CC=CC=C4)O
InChI
InChI=1S/C16H20O/c17-16(13-4-2-1-3-5-13)14-7-11-6-12(9-14)10-15(16)8-11/h1-5,11-12,14-15,17H,6-10H2
InChIKey
FSVUOZUVEZBKGB-UHFFFAOYSA-N
Compound name
2-phenyladamantan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

18
Patents

228.15141 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.15869 152.0
[M+Na]+ 251.14063 154.5
[M-H]- 227.14413 149.5
[M+NH4]+ 246.18523 176.1
[M+K]+ 267.11457 149.5
[M+H-H2O]+ 211.14867 144.3
[M+HCOO]- 273.14961 158.3
[M+CH3COO]- 287.16526 160.4
[M+Na-2H]- 249.12608 162.4
[M]+ 228.15086 150.1
[M]- 228.15196 150.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe