CID 6447059

3,7,11,15,19,23,27,31,35,39-decamethyl-2,6,10,14,18,22,26,30,34,38-tetracontadecaenyl acrylate

Structural Information

Molecular Formula
C53H84O2
SMILES
CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/COC(=O)C=C)/C)/C)/C)/C)/C)/C)/C)/C)/C)C
InChI
InChI=1S/C53H84O2/c1-13-53(54)55-42-41-52(12)40-22-39-51(11)38-21-37-50(10)36-20-35-49(9)34-19-33-48(8)32-18-31-47(7)30-17-29-46(6)28-16-27-45(5)26-15-25-44(4)24-14-23-43(2)3/h13,23,25,27,29,31,33,35,37,39,41H,1,14-22,24,26,28,30,32,34,36,38,40,42H2,2-12H3/b44-25+,45-27+,46-29+,47-31+,48-33+,49-35+,50-37+,51-39+,52-41+
InChIKey
ZFPAYOGHSALADL-AVRCVIBKSA-N
Compound name
[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl] prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

752.64716 Da
Monoisotopic Mass

18.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 753.65444 289.6
[M+Na]+ 775.63638 293.7
[M+NH4]+ 770.68098 295.4
[M+K]+ 791.61032 295.3
[M-H]- 751.63988 285.0
[M+Na-2H]- 773.62183 289.9
[M]+ 752.64661 289.9
[M]- 752.64771 289.9
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

patents stripe