CID 3018303

2,4-dibutyl-6-ethylphenol

Structural Information

Molecular Formula
C16H26O
SMILES
CCCCC1=CC(=C(C(=C1)CCCC)O)CC
InChI
InChI=1S/C16H26O/c1-4-7-9-13-11-14(6-3)16(17)15(12-13)10-8-5-2/h11-12,17H,4-10H2,1-3H3
InChIKey
DEOKRBNRSCUFEP-UHFFFAOYSA-N
Compound name
2,4-dibutyl-6-ethylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

118
Patents

234.19836 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.205636 158.2
[M+Na]+ 257.187578 165.1
[M-H]- 233.191084 160.2
[M+NH4]+ 252.232183 176.4
[M+K]+ 273.161518 161.1
[M+H-H2O]+ 217.195620 152.3
[M+HCOO]- 279.196561 179.2
[M+CH3COO]- 293.212211 195.3
[M+Na-2H]- 255.173026 160.1
[M]+ 234.19781142 161.4
[M]- 234.19890858 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

patents stripe