CID 38208

1-[2-(furan-3-yl)-5-methylcyclopenten-1-yl]-3-methylbut-2-en-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 155.4
[M+Na]+ 253.11990 162.4
[M-H]- 229.12340 163.0
[M+NH4]+ 248.16450 175.7
[M+K]+ 269.09384 160.7
[M+H-H2O]+ 213.12794 150.2
[M+HCOO]- 275.12888 177.5
[M+CH3COO]- 289.14453 191.3
[M+Na-2H]- 251.10535 154.2
[M]+ 230.13013 156.6
[M]- 230.13123 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.