CID 1523226

76230-27-8

Structural Information

Molecular Formula
C10H12O2
SMILES
CC1(CC2=C(C=CO2)C(=O)C1)C
InChI
InChI=1S/C10H12O2/c1-10(2)5-8(11)7-3-4-12-9(7)6-10/h3-4H,5-6H2,1-2H3
InChIKey
RVZYKXUAFRJYAT-UHFFFAOYSA-N
Compound name
6,6-dimethyl-5,7-dihydro-1-benzofuran-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

164.08372 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.09100 131.2
[M+Na]+ 187.07294 140.8
[M-H]- 163.07644 137.0
[M+NH4]+ 182.11754 156.0
[M+K]+ 203.04688 139.9
[M+H-H2O]+ 147.08098 127.3
[M+HCOO]- 209.08192 153.1
[M+CH3COO]- 223.09757 177.4
[M+Na-2H]- 185.05839 138.5
[M]+ 164.08317 132.1
[M]- 164.08427 132.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe