PubChemLite - (14e,18e)-lycopadiene (C40H78)

Structural Information

Molecular Formula

SMILES

C[C@H](CCCC(C)C)CCC[C@H](CCC/C(=C/CC/C=C(/CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)\C)/C)C

InChI

InChI=1S/C40H78/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/h21-22,33-34,37-40H,11-20,23-32H2,1-10H3/b35-21+,36-22+/t37-,38-,39+,40+/m1/s1

InChIKey

JBDZFQFIKGPIRH-PQPPKSKMSA-N

Compound name

(6R,10R,14E,18E,23R,27R)-2,6,10,14,19,23,27,31-octamethyldotriaconta-14,18-diene

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]+	559.61763	253.8
[M+Na]+	581.59957	263.8
[M-H]-	557.60307	243.2
[M+NH4]+	576.64417	262.3
[M+K]+	597.57351	270.1
[M+H-H2O]+	541.60761	256.9
[M+HCOO]-	603.60855	244.2
[M+CH3COO]-	617.62420	269.8
[M+Na-2H]-	579.58502	242.2
[M]+	558.60980	255.0
[M]-	558.61090	255.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

559.61763

253.8

[M+Na]+

581.59957

263.8

[M-H]-

557.60307

243.2

[M+NH4]+

576.64417

262.3

[M+K]+

597.57351

270.1

[M+H-H2O]+

541.60761

256.9

[M+HCOO]-

603.60855

244.2

[M+CH3COO]-

617.62420

269.8

[M+Na-2H]-

579.58502

242.2

[M]+

558.60980

255.0

[M]-

558.61090

255.0

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

(14e,18e)-lycopadiene

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe