CID 131841588

(2e6e,10e,14e,18e,22e)-lycopahexaene

Structural Information

Molecular Formula
C40H70
SMILES
C[C@H](CCCC(C)C)CCC/C(=C/CC/C(=C/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)/C)/C
InChI
InChI=1S/C40H70/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/h19,21-22,27,29-30,34,38H,11-18,20,23-26,28,31-32H2,1-10H3/b35-21+,36-22+,37-27+,39-29+,40-30+/t38-/m1/s1
InChIKey
KMHKIEPZTSCFEX-UBAVNZOLSA-N
Compound name
(6E,10E,14E,18E,22E,27R)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22-hexaene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

550.5477 Da
Monoisotopic Mass

16.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 551.55498 253.0
[M+Na]+ 573.53692 256.3
[M+NH4]+ 568.58152 255.6
[M+K]+ 589.51086 255.0
[M-H]- 549.54042 243.5
[M+Na-2H]- 571.52237 253.9
[M]+ 550.54715 250.9
[M]- 550.54825 250.9
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.