CID 103974

2-cyclohexyl-6-(1,1-dimethylethyl)-4-methylphenol

Structural Information

Molecular Formula
C17H26O
SMILES
CC1=CC(=C(C(=C1)C(C)(C)C)O)C2CCCCC2
InChI
InChI=1S/C17H26O/c1-12-10-14(13-8-6-5-7-9-13)16(18)15(11-12)17(2,3)4/h10-11,13,18H,5-9H2,1-4H3
InChIKey
JXGACSBVPLKCJV-UHFFFAOYSA-N
Compound name
2-tert-butyl-6-cyclohexyl-4-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

246.19836 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.20564 160.3
[M+Na]+ 269.18758 165.5
[M-H]- 245.19108 165.2
[M+NH4]+ 264.23218 177.5
[M+K]+ 285.16152 161.8
[M+H-H2O]+ 229.19562 154.1
[M+HCOO]- 291.19656 176.6
[M+CH3COO]- 305.21221 194.7
[M+Na-2H]- 267.17303 162.1
[M]+ 246.19781 156.4
[M]- 246.19891 156.4
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

patents stripe