CID 53394195

Ns00017061

Structural Information

Molecular Formula

C₂₀H₃₂O₄

SMILES

CCCCCC(C=CC1C2CC=CCCCC(=O)OC2CC1O)O

InChI

InChI=1S/C20H32O4/c1-2-3-6-9-15(21)12-13-16-17-10-7-4-5-8-11-20(23)24-19(17)14-18(16)22/h4,7,12-13,15-19,21-22H,2-3,5-6,8-11,14H2,1H3

InChIKey

ZVWMOTMHZYWJPF-UHFFFAOYSA-N

Compound name

10-hydroxy-9-(3-hydroxyoct-1-enyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 336.23007 Da
Monoisotopic Mass: 3.6
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]+	337.237346	182.7
[M+Na]+	359.219288	185.0
[M-H]-	335.222794	180.9
[M+NH4]+	354.263893	194.0
[M+K]+	375.193228	182.3
[M+H-H2O]+	319.227330	180.3
[M+HCOO]-	381.228271	194.2
[M+CH3COO]-	395.243921	202.6
[M+Na-2H]-	357.204736	178.7
[M]+	336.22952142	177.5
[M]-	336.23061858	177.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe