CID 18961322

157661-93-3

Structural Information

Molecular Formula
C27H48O
SMILES
CCCCCCCCCCCCCCC(C)C1=C(C(=CC(=C1)C(C)(C)C)C)O
InChI
InChI=1S/C27H48O/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-22(2)25-21-24(27(4,5)6)20-23(3)26(25)28/h20-22,28H,7-19H2,1-6H3
InChIKey
LALMYSXJJWCRDR-UHFFFAOYSA-N
Compound name
4-tert-butyl-2-hexadecan-2-yl-6-methylphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

13
Patents

388.3705 Da
Monoisotopic Mass

11.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.37778 208.2
[M+Na]+ 411.35972 210.5
[M-H]- 387.36322 208.5
[M+NH4]+ 406.40432 220.2
[M+K]+ 427.33366 205.0
[M+H-H2O]+ 371.36776 200.9
[M+HCOO]- 433.36870 222.8
[M+CH3COO]- 447.38435 228.7
[M+Na-2H]- 409.34517 203.8
[M]+ 388.36995 214.2
[M]- 388.37105 214.2
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