CID 23724601

2-methyl-6-phytylhydroquinone

Structural Information

Molecular Formula
C27H46O2
SMILES
CC1=CC(=CC(=C1O)C/C=C(\C)/CCCC(C)CCCC(C)CCCC(C)C)O
InChI
InChI=1S/C27H46O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-15-23(5)16-17-25-19-26(28)18-24(6)27(25)29/h16,18-22,28-29H,7-15,17H2,1-6H3/b23-16+
InChIKey
GTWCNYRFOZKWTL-XQNSMLJCSA-N
Compound name
2-methyl-6-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]benzene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

114
Patents

402.3498 Da
Monoisotopic Mass

10.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.35708 210.3
[M+Na]+ 425.33902 218.3
[M+NH4]+ 420.38362 214.8
[M+K]+ 441.31296 211.3
[M-H]- 401.34252 209.9
[M+Na-2H]- 423.32447 210.0
[M]+ 402.34925 211.1
[M]- 402.35035 211.1
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