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

62
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

literature stripe

Patent stripe

patents stripe