CID 6479877

6,8-bis[(z)-dec-1-enyl]-5,7-dimethyl-2,3-dihydro-1h-indolizin-4-ium

Structural Information

Molecular Formula

SMILES

CCCCCCCC/C=C\C1=C(C(=C2CCC[N+]2=C1C)/C=C\CCCCCCCC)C

InChI

InChI=1S/C30H50N/c1-5-7-9-11-13-15-17-19-22-28-26(3)29(30-24-21-25-31(30)27(28)4)23-20-18-16-14-12-10-8-6-2/h19-20,22-23H,5-18,21,24-25H2,1-4H3/q+1/b22-19-,23-20-

InChIKey

LOTZSYKJMYSNJV-IKJQKJQYSA-N

Compound name

6,8-bis[(Z)-dec-1-enyl]-5,7-dimethyl-2,3-dihydro-1H-indolizin-4-ium

Related CIDs

2D Structure

1
Annotation Hits: 1
References: 17
Patents: 424.39432 Da
Monoisotopic Mass: 11.5
XlogP (predicted)

Profile

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]+	425.40160	222.5
[M+Na]+	447.38354	225.4
[M-H]-	423.38704	223.1
[M+NH4]+	442.42814	234.7
[M+K]+	463.35748	211.1
[M+H-H2O]+	407.39158	216.1
[M+HCOO]-	469.39252	237.6
[M+CH3COO]-	483.40817	229.4
[M+Na-2H]-	445.36899	218.2
[M]+	424.39377	226.9
[M]-	424.39487	226.9

Literature stripe

Patent stripe