PubChemLite - Lycopersene (C40H66)

Structural Information

Molecular Formula

SMILES

CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)\C)/C)/C)/C)C

InChI

InChI=1S/C40H66/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/h19-22,27-30H,11-18,23-26,31-32H2,1-10H3/b35-21+,36-22+,37-27+,38-28+,39-29+,40-30+

InChIKey

BGVXBZXEFXMRGJ-DPOFWPLISA-N

Compound name

(6E,10E,14E,18E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaene

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	547.52378	247.6
[M+Na]+	569.50572	251.9
[M+NH4]+	564.55032	250.2
[M+K]+	585.47966	250.4
[M-H]-	545.50922	239.7
[M+Na-2H]-	567.49117	249.5
[M]+	546.51595	246.1
[M]-	546.51705	246.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

547.52378

247.6

[M+Na]+

569.50572

251.9

[M+NH4]+

564.55032

250.2

[M+K]+

585.47966

250.4

[M-H]-

545.50922

239.7

[M+Na-2H]-

567.49117

249.5

[M]+

546.51595

246.1

[M]-

546.51705

246.1

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Lycopersene

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe