CID 5275368

(6r)-5-hexadecyl-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole

Structural Information

Molecular Formula

C₂₄H₄₆O₄

SMILES

CCCCCCCCCCCCCCCCC1[C@H](C2C(O1)OC(O2)(C)C)OC

InChI

InChI=1S/C24H46O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(25-4)22-23(26-20)28-24(2,3)27-22/h20-23H,5-19H2,1-4H3/t20?,21-,22?,23?/m1/s1

InChIKey

YPNHUEDIXFVVHY-YQEOXULRSA-N

Compound name

(6R)-5-hexadecyl-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 398.3396 Da
Monoisotopic Mass: 8.6
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]+	399.346876	207.5
[M+Na]+	421.328818	210.2
[M-H]-	397.332324	211.2
[M+NH4]+	416.373423	221.7
[M+K]+	437.302758	209.4
[M+H-H2O]+	381.336860	202.9
[M+HCOO]-	443.337801	221.6
[M+CH3COO]-	457.353451	226.0
[M+Na-2H]-	419.314266	205.3
[M]+	398.33905142	217.4
[M]-	398.34014858	217.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.