CID 83049483

5-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-one

Structural Information

Molecular Formula
C12H14O2
SMILES
CCCC1C(=O)C2=C(O1)C=CC(=C2)C
InChI
InChI=1S/C12H14O2/c1-3-4-11-12(13)9-7-8(2)5-6-10(9)14-11/h5-7,11H,3-4H2,1-2H3
InChIKey
QFMPJDSBXOAFFD-UHFFFAOYSA-N
Compound name
5-methyl-2-propyl-1-benzofuran-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

190.09938 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.106656 139.6
[M+Na]+ 213.088598 149.3
[M-H]- 189.092104 145.3
[M+NH4]+ 208.133203 161.6
[M+K]+ 229.062538 147.6
[M+H-H2O]+ 173.096640 134.9
[M+HCOO]- 235.097581 162.2
[M+CH3COO]- 249.113231 184.7
[M+Na-2H]- 211.074046 144.9
[M]+ 190.09883142 142.7
[M]- 190.09992858 142.7
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

patents stripe