CID 22833469

121158-58-5

Structural Information

Molecular Formula
C16H26O
SMILES
CCC(C)C(C)C(C)CCC1=CC=C(C=C1)O
InChI
InChI=1S/C16H26O/c1-5-12(2)14(4)13(3)6-7-15-8-10-16(17)11-9-15/h8-14,17H,5-7H2,1-4H3
InChIKey
AOOKHLGAVNECET-UHFFFAOYSA-N
Compound name
4-(3,4,5-trimethylheptyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.19836 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.20564 159.6
[M+Na]+ 257.18758 170.5
[M+NH4]+ 252.23218 167.4
[M+K]+ 273.16152 164.2
[M-H]- 233.19108 161.2
[M+Na-2H]- 255.17303 164.2
[M]+ 234.19781 161.5
[M]- 234.19891 161.5
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.