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 247.2
[M+Na]+ 575.55262 259.0
[M-H]- 551.55612 239.1
[M+NH4]+ 570.59722 256.7
[M+K]+ 591.52656 264.0
[M+H-H2O]+ 535.56066 250.5
[M+HCOO]- 597.56160 240.1
[M+CH3COO]- 611.57725 265.7
[M+Na-2H]- 573.53807 237.2
[M]+ 552.56285 247.8
[M]- 552.56395 247.8
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.