CID 5366012

3,7,11,15-tetramethyl-2e,6e,10e,14-hexadecatetraenyl acetate

Structural Information

Molecular Formula
C22H36O2
SMILES
CC(=CCC/C(=C/CC/C(=C/CC/C(=C/COC(=O)C)/C)/C)/C)C
InChI
InChI=1S/C22H36O2/c1-18(2)10-7-11-19(3)12-8-13-20(4)14-9-15-21(5)16-17-24-22(6)23/h10,12,14,16H,7-9,11,13,15,17H2,1-6H3/b19-12+,20-14+,21-16+
InChIKey
NHYSRKKHKHCRGR-RFRQLJORSA-N
Compound name
[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

79
Patents

332.27155 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.27883 191.2
[M+Na]+ 355.26077 192.7
[M-H]- 331.26427 189.3
[M+NH4]+ 350.30537 205.1
[M+K]+ 371.23471 188.6
[M+H-H2O]+ 315.26881 184.9
[M+HCOO]- 377.26975 206.4
[M+CH3COO]- 391.28540 215.5
[M+Na-2H]- 353.24622 183.9
[M]+ 332.27100 194.4
[M]- 332.27210 194.4
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.