CID 38208

(s)-1-(2-(3-furanyl)-5-methyl-1-cyclopenten-1-yl)-3-methyl-2-buten-1-one

Structural Information

Molecular Formula
C15H18O2
SMILES
CC1CCC(=C1C(=O)C=C(C)C)C2=COC=C2
InChI
InChI=1S/C15H18O2/c1-10(2)8-14(16)15-11(3)4-5-13(15)12-6-7-17-9-12/h6-9,11H,4-5H2,1-3H3
InChIKey
UFRHZDWJDMQBIC-UHFFFAOYSA-N
Compound name
1-[2-(furan-3-yl)-5-methylcyclopenten-1-yl]-3-methylbut-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.13068 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.13796 154.8
[M+Na]+ 253.11990 165.1
[M+NH4]+ 248.16450 162.6
[M+K]+ 269.09384 163.3
[M-H]- 229.12340 158.3
[M+Na-2H]- 251.10535 158.8
[M]+ 230.13013 157.1
[M]- 230.13123 157.1
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.