CID 164362

134701-20-5

Structural Information

Molecular Formula
C24H42O
SMILES
CCCCCCCCCCCCCCC(C)C1=CC(=CC(=C1O)C)C
InChI
InChI=1S/C24H42O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21(3)23-19-20(2)18-22(4)24(23)25/h18-19,21,25H,5-17H2,1-4H3
InChIKey
TVWGHFVGFWIHFN-UHFFFAOYSA-N
Compound name
2-hexadecan-2-yl-4,6-dimethylphenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

3379
Patents

346.32358 Da
Monoisotopic Mass

10.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.33086 195.1
[M+Na]+ 369.31280 198.2
[M-H]- 345.31630 195.6
[M+NH4]+ 364.35740 208.6
[M+K]+ 385.28674 192.8
[M+H-H2O]+ 329.32084 187.6
[M+HCOO]- 391.32178 212.3
[M+CH3COO]- 405.33743 220.0
[M+Na-2H]- 367.29825 191.4
[M]+ 346.32303 200.6
[M]- 346.32413 200.6
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