CID 23724602

2,3-dimethyl-6-phytylhydroquinone

Structural Information

Molecular Formula
C28H48O2
SMILES
CC1=C(C=C(C(=C1C)O)C/C=C(\C)/CCCC(C)CCCC(C)CCCC(C)C)O
InChI
InChI=1S/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-16-23(5)17-18-26-19-27(29)24(6)25(7)28(26)30/h17,19-22,29-30H,8-16,18H2,1-7H3/b23-17+
InChIKey
SUFZKUBNOVDJRR-HAVVHWLPSA-N
Compound name
2,3-dimethyl-5-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]benzene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

205
Patents

416.36542 Da
Monoisotopic Mass

11.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.372696 214.0
[M+Na]+ 439.354638 215.4
[M-H]- 415.358144 212.9
[M+NH4]+ 434.399243 223.8
[M+K]+ 455.328578 210.0
[M+H-H2O]+ 399.362680 206.8
[M+HCOO]- 461.363621 225.7
[M+CH3COO]- 475.379271 233.6
[M+Na-2H]- 437.340086 203.5
[M]+ 416.36487142 218.1
[M]- 416.36596858 218.1
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