CID 131841565

(4z,8z,12z,16z)-4,8,12,16-tetramethyl-20-oxohenicosa-4,8,12,16-tetraenal

Structural Information

Molecular Formula
C25H40O2
SMILES
C/C(=C/CC/C(=C\CCC(=O)C)/C)/CC/C=C(/C)\CC/C=C(/C)\CCC=O
InChI
InChI=1S/C25H40O2/c1-21(13-7-15-23(3)17-9-19-25(5)27)11-6-12-22(2)14-8-16-24(4)18-10-20-26/h12-13,16-17,20H,6-11,14-15,18-19H2,1-5H3/b21-13-,22-12-,23-17-,24-16-
InChIKey
AUAQHZRUZZNMIN-WOODHJLYSA-N
Compound name
(4Z,8Z,12Z,16Z)-4,8,12,16-tetramethyl-20-oxohenicosa-4,8,12,16-tetraenal
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

372.30283 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.31011 202.5
[M+Na]+ 395.29205 203.1
[M-H]- 371.29555 200.1
[M+NH4]+ 390.33665 207.3
[M+K]+ 411.26599 197.6
[M+H-H2O]+ 355.30009 195.8
[M+HCOO]- 417.30103 206.6
[M+CH3COO]- 431.31668 224.2
[M+Na-2H]- 393.27750 193.8
[M]+ 372.30228 206.3
[M]- 372.30338 206.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.