CID 8455

2,4-di-tert-pentylphenol

Structural Information

Molecular Formula
C16H26O
SMILES
CCC(C)(C)C1=CC(=C(C=C1)O)C(C)(C)CC
InChI
InChI=1S/C16H26O/c1-7-15(3,4)12-9-10-14(17)13(11-12)16(5,6)8-2/h9-11,17H,7-8H2,1-6H3
InChIKey
WMVJWKURWRGJCI-UHFFFAOYSA-N
Compound name
2,4-bis(2-methylbutan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

1
References

5530
Patents

234.19836 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.20564 157.5
[M+Na]+ 257.18758 164.3
[M-H]- 233.19108 159.9
[M+NH4]+ 252.23218 175.7
[M+K]+ 273.16152 161.4
[M+H-H2O]+ 217.19562 152.7
[M+HCOO]- 279.19656 175.4
[M+CH3COO]- 293.21221 195.1
[M+Na-2H]- 255.17303 161.8
[M]+ 234.19781 159.4
[M]- 234.19891 159.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe