CID 88813

2-hexadecyl-5-methylhydroquinone

Structural Information

Molecular Formula
C23H40O2
SMILES
CCCCCCCCCCCCCCCCC1=C(C=C(C(=C1)O)C)O
InChI
InChI=1S/C23H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-19-22(24)20(2)18-23(21)25/h18-19,24-25H,3-17H2,1-2H3
InChIKey
HINXRUYNUJLKSX-UHFFFAOYSA-N
Compound name
2-hexadecyl-5-methylbenzene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

348.30283 Da
Monoisotopic Mass

10.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.31011 193.8
[M+Na]+ 371.29205 197.0
[M-H]- 347.29555 192.9
[M+NH4]+ 366.33665 206.4
[M+K]+ 387.26599 191.0
[M+H-H2O]+ 331.30009 186.3
[M+HCOO]- 393.30103 210.9
[M+CH3COO]- 407.31668 215.7
[M+Na-2H]- 369.27750 191.3
[M]+ 348.30228 199.0
[M]- 348.30338 199.0
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