CID 14408096

Fs4 toxin

Structural Information

Molecular Formula
C15H22O3
SMILES
CC1(CCC(C=C1)(C)O)C2(CC(=O)C=C2CO)C
InChI
InChI=1S/C15H22O3/c1-13(4-6-14(2,18)7-5-13)15(3)9-12(17)8-11(15)10-16/h4,6,8,16,18H,5,7,9-10H2,1-3H3
InChIKey
MKMOUQVTTUPKSO-UHFFFAOYSA-N
Compound name
4-(4-hydroxy-1,4-dimethylcyclohex-2-en-1-yl)-3-(hydroxymethyl)-4-methylcyclopent-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.15689 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.16417 156.0
[M+Na]+ 273.14611 165.8
[M+NH4]+ 268.19071 167.6
[M+K]+ 289.12005 156.7
[M-H]- 249.14961 157.8
[M+Na-2H]- 271.13156 164.5
[M]+ 250.15634 158.2
[M]- 250.15744 158.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.