CID 55835

Benzofuran-2,4(3h,5h)-dione, tetrahydro-3a-methyl-6-(1-methylethyl)-, (3ar,6r)-

Structural Information

Molecular Formula
C12H18O3
SMILES
CC(C)C1CC2C(CC(=O)O2)(C(=O)C1)C
InChI
InChI=1S/C12H18O3/c1-7(2)8-4-9(13)12(3)6-11(14)15-10(12)5-8/h7-8,10H,4-6H2,1-3H3
InChIKey
XSWFLOYZQXCBKI-UHFFFAOYSA-N
Compound name
3a-methyl-6-propan-2-yl-5,6,7,7a-tetrahydro-3H-1-benzofuran-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.1256 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.13288 147.1
[M+Na]+ 233.11482 156.6
[M+NH4]+ 228.15942 156.6
[M+K]+ 249.08876 151.8
[M-H]- 209.11832 149.1
[M+Na-2H]- 231.10027 149.6
[M]+ 210.12505 148.9
[M]- 210.12615 148.9
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.