CID 5750515

Muscogene

Structural Information

Molecular Formula

C₁₄H₂₄O

SMILES

C1CCCCC2COCC2/C=C/CCC1

InChI

InChI=1S/C14H24O/c1-2-4-6-8-10-14-12-15-11-13(14)9-7-5-3-1/h7,9,13-14H,1-6,8,10-12H2/b9-7+

InChIKey

QQPBNXSJUXIDLT-VQHVLOKHSA-N

Compound name

(4E)-1,3,3a,6,7,8,9,10,11,12,13,13a-dodecahydrocyclododeca[c]furan

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 45
Patents: 208.18271 Da
Monoisotopic Mass: 4.7
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]+	209.18999	146.9
[M+Na]+	231.17193	149.2
[M-H]-	207.17543	148.2
[M+NH4]+	226.21653	163.9
[M+K]+	247.14587	149.2
[M+H-H2O]+	191.17997	144.3
[M+HCOO]-	253.18091	162.7
[M+CH3COO]-	267.19656	157.0
[M+Na-2H]-	229.15738	149.3
[M]+	208.18216	137.4
[M]-	208.18326	137.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.