CID 269933

4-(1-adamantyl)phenol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1519
Patents

228.15141 Da
Monoisotopic Mass

5.2
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