CID 4075215

7672-77-7

Structural Information

Molecular Formula
C14H18O3
SMILES
CC1C2C(C(C=C1C)C=C(C)C)C(=O)OC2=O
InChI
InChI=1S/C14H18O3/c1-7(2)5-10-6-8(3)9(4)11-12(10)14(16)17-13(11)15/h5-6,9-12H,1-4H3
InChIKey
WGCKYCGUJYPRCV-UHFFFAOYSA-N
Compound name
4,5-dimethyl-7-(2-methylprop-1-enyl)-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

182
Patents

234.1256 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.13288 151.4
[M+Na]+ 257.11482 160.3
[M-H]- 233.11832 156.9
[M+NH4]+ 252.15942 171.8
[M+K]+ 273.08876 158.2
[M+H-H2O]+ 217.12286 147.3
[M+HCOO]- 279.12380 169.9
[M+CH3COO]- 293.13945 194.8
[M+Na-2H]- 255.10027 151.5
[M]+ 234.12505 152.5
[M]- 234.12615 152.5
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.