CID 14720992

2-nonaprenyl-4-hydroxyphenol

Structural Information

Molecular Formula
C51H78O2
SMILES
CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC1=C(C=CC(=C1)O)O)/C)/C)/C)/C)/C)/C)/C)/C)C
InChI
InChI=1S/C51H78O2/c1-40(2)19-11-20-41(3)21-12-22-42(4)23-13-24-43(5)25-14-26-44(6)27-15-28-45(7)29-16-30-46(8)31-17-32-47(9)33-18-34-48(10)35-36-49-39-50(52)37-38-51(49)53/h19,21,23,25,27,29,31,33,35,37-39,52-53H,11-18,20,22,24,26,28,30,32,34,36H2,1-10H3/b41-21+,42-23+,43-25+,44-27+,45-29+,46-31+,47-33+,48-35+
InChIKey
PZRKHNNLPWSLFO-XWEAJCOCSA-N
Compound name
2-[(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl]benzene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

722.60016 Da
Monoisotopic Mass

18.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 723.607436 259.2
[M+Na]+ 745.589378 271.5
[M-H]- 721.592884 254.6
[M+NH4]+ 740.633983 269.3
[M+K]+ 761.563318 276.3
[M+H-H2O]+ 705.597420 261.8
[M+HCOO]- 767.598361 252.1
[M+CH3COO]- 781.614011 288.8
[M+Na-2H]- 743.574826 247.8
[M]+ 722.59961142 256.9
[M]- 722.60070858 256.9
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

No patent data available for this compound.