CID 5937114

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-CLFYSBASSA-N
Compound name
(4Z)-1,3,3a,6,7,8,9,10,11,12,13,13a-dodecahydrocyclododeca[c]furan
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

61
Patents

208.18271 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.18999 149.5
[M+Na]+ 231.17193 159.0
[M+NH4]+ 226.21653 158.6
[M+K]+ 247.14587 153.5
[M-H]- 207.17543 154.1
[M+Na-2H]- 229.15738 153.7
[M]+ 208.18216 151.8
[M]- 208.18326 151.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe