CID 13796216

Dtxsid80549740

Structural Information

Molecular Formula
C23H40O2
SMILES
CCCCCCCCCCCCCCC(C)C1=C(C=C(C(=C1)O)C)O
InChI
InChI=1S/C23H40O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19(2)21-18-22(24)20(3)17-23(21)25/h17-19,24-25H,4-16H2,1-3H3
InChIKey
KCYACLDUJZXZAJ-UHFFFAOYSA-N
Compound name
2-hexadecan-2-yl-5-methylbenzene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

348.30283 Da
Monoisotopic Mass

9.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.31011 193.7
[M+Na]+ 371.29205 203.6
[M+NH4]+ 366.33665 199.6
[M+K]+ 387.26599 195.2
[M-H]- 347.29555 194.5
[M+Na-2H]- 369.27750 195.6
[M]+ 348.30228 195.2
[M]- 348.30338 195.2
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