CID 14687820

Tetradecahydrocyclododeca[b]furan

Structural Information

Molecular Formula

C₁₄H₂₆O

SMILES

C1CCCCCC2C(CCCC1)CCO2

InChI

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

InChIKey

BXUHYORBIXEKMH-UHFFFAOYSA-N

Compound name

2,3,3a,4,5,6,7,8,9,10,11,12,13,13a-tetradecahydrocyclododeca[b]furan

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 85
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]+	211.205636	149.0
[M+Na]+	233.187578	150.2
[M-H]-	209.191084	149.8
[M+NH4]+	228.232183	165.8
[M+K]+	249.161518	150.4
[M+H-H2O]+	193.195620	146.3
[M+HCOO]-	255.196561	163.2
[M+CH3COO]-	269.212211	158.4
[M+Na-2H]-	231.173026	150.3
[M]+	210.19781142	138.0
[M]-	210.19890858	138.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe