CID 170687

Tetradecahydrocyclododeca[c]furan

Structural Information

Molecular Formula

C₁₄H₂₆O

SMILES

C1CCCCCC2COCC2CCCC1

InChI

InChI=1S/C14H26O/c1-2-4-6-8-10-14-12-15-11-13(14)9-7-5-3-1/h13-14H,1-12H2

InChIKey

ZOMKNVYKXOZLFE-UHFFFAOYSA-N

Compound name

1,3,3a,4,5,6,7,8,9,10,11,12,13,13a-tetradecahydrocyclododeca[c]furan

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 7
Patents: 210.19836 Da
Monoisotopic Mass: 5.2
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]+	211.20564	149.0
[M+Na]+	233.18758	150.2
[M-H]-	209.19108	149.8
[M+NH4]+	228.23218	165.8
[M+K]+	249.16152	150.4
[M+H-H2O]+	193.19562	146.3
[M+HCOO]-	255.19656	163.2
[M+CH3COO]-	269.21221	158.4
[M+Na-2H]-	231.17303	150.3
[M]+	210.19781	138.0
[M]-	210.19891	138.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe