CID 131841484

(2e,6e,10e,14e,18e)-lycopapentaene

Structural Information

Molecular Formula
C40H72
SMILES
C[C@@H](CCC[C@@H](C)CCC/C(=C/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)/C)CCCC(C)C
InChI
InChI=1S/C40H72/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h19,21-22,27,29,34,38,40H,11-18,20,23-26,28,30-32H2,1-10H3/b35-21+,36-22+,37-27+,39-29+/t38-,40+/m1/s1
InChIKey
UKCLJWRKPGPSLL-NGXRMTJOSA-N
Compound name
(6E,10E,14E,18E,23R,27R)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,18-pentaene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

552.5634 Da
Monoisotopic Mass

16.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 553.57068 255.7
[M+Na]+ 575.55262 258.5
[M+NH4]+ 570.59722 258.3
[M+K]+ 591.52656 257.2
[M-H]- 551.55612 245.4
[M+Na-2H]- 573.53807 256.1
[M]+ 552.56285 253.3
[M]- 552.56395 253.3
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.