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

203
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 156.0
[M+Na]+ 265.15629 168.2
[M+NH4]+ 260.20089 170.0
[M+K]+ 281.13023 157.1
[M-H]- 241.15979 157.2
[M+Na-2H]- 263.14174 156.1
[M]+ 242.16652 158.4
[M]- 242.16762 158.4
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