CID 617992

2-(1-adamantyl)-4-methylphenol

Structural Information

Molecular Formula
C17H22O
SMILES
CC1=CC(=C(C=C1)O)C23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C17H22O/c1-11-2-3-16(18)15(4-11)17-8-12-5-13(9-17)7-14(6-12)10-17/h2-4,12-14,18H,5-10H2,1H3
InChIKey
XHLJIHBDAJFXBE-UHFFFAOYSA-N
Compound name
2-(1-adamantyl)-4-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

225
Patents

242.16707 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.17435 157.5
[M+Na]+ 265.15629 160.4
[M-H]- 241.15979 155.1
[M+NH4]+ 260.20089 181.3
[M+K]+ 281.13023 155.3
[M+H-H2O]+ 225.16433 149.8
[M+HCOO]- 287.16527 163.4
[M+CH3COO]- 301.18092 165.8
[M+Na-2H]- 263.14174 166.7
[M]+ 242.16652 156.3
[M]- 242.16762 156.3
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