CID 171116476

Chinensen b

Structural Information

Molecular Formula
C27H38O3
SMILES
CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC1=C(C(=CC(=C1)O)C=O)O)/C)/C)/C)C
InChI
InChI=1S/C27H38O3/c1-20(2)9-6-10-21(3)11-7-12-22(4)13-8-14-23(5)15-16-24-17-26(29)18-25(19-28)27(24)30/h9,11,13,15,17-19,29-30H,6-8,10,12,14,16H2,1-5H3/b21-11+,22-13+,23-15+
InChIKey
RVEBXKYJOIUWBD-FPFQZNTGSA-N
Compound name
2,5-dihydroxy-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.2821 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.28938 207.5
[M+Na]+ 433.27132 209.8
[M-H]- 409.27482 206.5
[M+NH4]+ 428.31592 217.1
[M+K]+ 449.24526 202.7
[M+H-H2O]+ 393.27936 200.4
[M+HCOO]- 455.28030 220.7
[M+CH3COO]- 469.29595 226.5
[M+Na-2H]- 431.25677 198.5
[M]+ 410.28155 209.4
[M]- 410.28265 209.4
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.