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]+ 263.200546 163.9
[M+Na]+ 285.182488 168.9
[M-H]- 261.185994 168.7
[M+NH4]+ 280.227093 180.3
[M+K]+ 301.156428 165.8
[M+H-H2O]+ 245.190530 157.4
[M+HCOO]- 307.191471 180.3
[M+CH3COO]- 321.207121 196.8
[M+Na-2H]- 283.167936 165.7
[M]+ 262.19272142 161.4
[M]- 262.19381858 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.