CID 131841595

(2e,10e,14e,18e)-lycopatetraene

Structural Information

Molecular Formula
C40H74
SMILES
C[C@@H](CCC[C@@H](C)CCC/C(=C/CC/C=C(\C)/CC/C=C(\C)/CCC[C@H](C)CCC=C(C)C)/C)CCCC(C)C
InChI
InChI=1S/C40H74/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/h19,21-22,29,34,37-38,40H,11-18,20,23-28,30-32H2,1-10H3/b35-21+,36-22+,39-29+/t37-,38-,40+/m1/s1
InChIKey
IBYIKDCSISCFLZ-JCLQIIOJSA-N
Compound name
(6S,10E,14E,18E,23R,27R)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,10,14,18-tetraene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

554.57904 Da
Monoisotopic Mass

17.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 555.58632 249.3
[M+Na]+ 577.56826 260.5
[M-H]- 553.57176 240.4
[M+NH4]+ 572.61286 258.4
[M+K]+ 593.54220 265.9
[M+H-H2O]+ 537.57630 252.5
[M+HCOO]- 599.57724 241.4
[M+CH3COO]- 613.59289 267.1
[M+Na-2H]- 575.55371 238.8
[M]+ 554.57849 250.1
[M]- 554.57959 250.1
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.