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]+ 231.137956 155.4
[M+Na]+ 253.119898 162.4
[M-H]- 229.123404 163.0
[M+NH4]+ 248.164503 175.7
[M+K]+ 269.093838 160.7
[M+H-H2O]+ 213.127940 150.2
[M+HCOO]- 275.128881 177.5
[M+CH3COO]- 289.144531 191.3
[M+Na-2H]- 251.105346 154.2
[M]+ 230.13013142 156.6
[M]- 230.13122858 156.6
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.