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]+ 723.60744 259.2
[M+Na]+ 745.58938 271.5
[M-H]- 721.59288 254.6
[M+NH4]+ 740.63398 269.3
[M+K]+ 761.56332 276.3
[M+H-H2O]+ 705.59742 261.8
[M+HCOO]- 767.59836 252.1
[M+CH3COO]- 781.61401 288.8
[M+Na-2H]- 743.57483 247.8
[M]+ 722.59961 256.8
[M]- 722.60071 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.