CID 3723766

2-tert-butyl-4-cyclohexyl-6-methoxyphenol

Structural Information

Molecular Formula
C17H26O2
SMILES
CC(C)(C)C1=C(C(=CC(=C1)C2CCCCC2)OC)O
InChI
InChI=1S/C17H26O2/c1-17(2,3)14-10-13(11-15(19-4)16(14)18)12-8-6-5-7-9-12/h10-12,18H,5-9H2,1-4H3
InChIKey
WOEOEKWZDCBSTE-UHFFFAOYSA-N
Compound name
2-tert-butyl-4-cyclohexyl-6-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.19327 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.20055 163.9
[M+Na]+ 285.18249 168.9
[M-H]- 261.18599 168.7
[M+NH4]+ 280.22709 180.3
[M+K]+ 301.15643 165.8
[M+H-H2O]+ 245.19053 157.4
[M+HCOO]- 307.19147 180.3
[M+CH3COO]- 321.20712 196.8
[M+Na-2H]- 283.16794 165.7
[M]+ 262.19272 161.4
[M]- 262.19382 161.4
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.