CID 14035234

Phytal

Structural Information

Molecular Formula
C20H38O
SMILES
CC(C)CCCC(C)CCCC(C)CCC/C(=C/C=O)/C
InChI
InChI=1S/C20H38O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15-19H,6-14H2,1-5H3/b20-15+
InChIKey
RAFZYSUICBQABU-HMMYKYKNSA-N
Compound name
(E)-3,7,11,15-tetramethylhexadec-2-enal
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

4
References

1518
Patents

294.29227 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.29955 184.2
[M+Na]+ 317.28149 185.6
[M-H]- 293.28499 182.4
[M+NH4]+ 312.32609 199.7
[M+K]+ 333.25543 182.7
[M+H-H2O]+ 277.28953 177.9
[M+HCOO]- 339.29047 200.1
[M+CH3COO]- 353.30612 212.1
[M+Na-2H]- 315.26694 178.9
[M]+ 294.29172 188.2
[M]- 294.29282 188.2
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.