CID 5280823

2-hexaprenylphenol

Structural Information

Molecular Formula
C36H54O
SMILES
CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC1=CC=CC=C1O)/C)/C)/C)/C)/C)C
InChI
InChI=1S/C36H54O/c1-29(2)15-10-16-30(3)17-11-18-31(4)19-12-20-32(5)21-13-22-33(6)23-14-24-34(7)27-28-35-25-8-9-26-36(35)37/h8-9,15,17,19,21,23,25-27,37H,10-14,16,18,20,22,24,28H2,1-7H3/b30-17+,31-19+,32-21+,33-23+,34-27+
InChIKey
SWYAYSXDWCPYPJ-DUBIXASGSA-N
Compound name
2-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

502.41748 Da
Monoisotopic Mass

12.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 503.42476 240.2
[M+Na]+ 525.40670 237.5
[M-H]- 501.41020 238.3
[M+NH4]+ 520.45130 246.2
[M+K]+ 541.38064 228.1
[M+H-H2O]+ 485.41474 231.7
[M+HCOO]- 547.41568 249.7
[M+CH3COO]- 561.43133 248.2
[M+Na-2H]- 523.39215 226.0
[M]+ 502.41693 241.5
[M]- 502.41803 241.5
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.