CID 54685126

Elasnin

Structural Information

Molecular Formula

C₂₄H₄₀O₄

SMILES

CCCCCC(=O)C(CCCC)C1=C(C(=C(C(=O)O1)CCCC)O)CCCC

InChI

InChI=1S/C24H40O4/c1-5-9-13-17-21(25)18(14-10-6-2)23-19(15-11-7-3)22(26)20(16-12-8-4)24(27)28-23/h18,26H,5-17H2,1-4H3

InChIKey

SNSPVFCYLPZTRZ-UHFFFAOYSA-N

Compound name

3,5-dibutyl-4-hydroxy-6-(6-oxoundecan-5-yl)pyran-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 55
Patents: 392.29266 Da
Monoisotopic Mass: 7.0
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]+	393.299936	202.7
[M+Na]+	415.281878	206.8
[M-H]-	391.285384	204.3
[M+NH4]+	410.326483	212.8
[M+K]+	431.255818	203.4
[M+H-H2O]+	375.289920	194.9
[M+HCOO]-	437.290861	218.9
[M+CH3COO]-	451.306511	226.7
[M+Na-2H]-	413.267326	198.2
[M]+	392.29211142	211.4
[M]-	392.29320858	211.4

Literature stripe

literature stripe

Patent stripe

patents stripe