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

54
Patents

246.19836 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.205636 160.3
[M+Na]+ 269.187578 165.5
[M-H]- 245.191084 165.2
[M+NH4]+ 264.232183 177.5
[M+K]+ 285.161518 161.8
[M+H-H2O]+ 229.195620 154.1
[M+HCOO]- 291.196561 176.6
[M+CH3COO]- 305.212211 194.7
[M+Na-2H]- 267.173026 162.1
[M]+ 246.19781142 156.4
[M]- 246.19890858 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