CID 3018936

80417-97-6

Structural Information

Molecular Formula
C10H12O2
SMILES
CC1CCC2=C(C(=O)OC2=C1)C
InChI
InChI=1S/C10H12O2/c1-6-3-4-8-7(2)10(11)12-9(8)5-6/h5-6H,3-4H2,1-2H3
InChIKey
ZRTWVYJNKXXDDT-UHFFFAOYSA-N
Compound name
3,6-dimethyl-5,6-dihydro-4H-1-benzofuran-2-one
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

1
References

76
Patents

164.08372 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.09100 131.6
[M+Na]+ 187.07294 141.2
[M-H]- 163.07644 137.3
[M+NH4]+ 182.11754 154.6
[M+K]+ 203.04688 140.1
[M+H-H2O]+ 147.08098 127.3
[M+HCOO]- 209.08192 153.4
[M+CH3COO]- 223.09757 179.0
[M+Na-2H]- 185.05839 137.1
[M]+ 164.08317 132.6
[M]- 164.08427 132.6
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.