CID 27209

5,6,7,7a-tetrahydro-4,4,7a-trimethyl-2(4h)-benzofuranone

Structural Information

Molecular Formula
C11H16O2
SMILES
CC1(CCCC2(C1=CC(=O)O2)C)C
InChI
InChI=1S/C11H16O2/c1-10(2)5-4-6-11(3)8(10)7-9(12)13-11/h7H,4-6H2,1-3H3
InChIKey
IMKHDCBNRDRUEB-UHFFFAOYSA-N
Compound name
4,4,7a-trimethyl-6,7-dihydro-5H-1-benzofuran-2-one
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

26
References

1589
Patents

180.11504 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.12232 136.1
[M+Na]+ 203.10426 145.2
[M-H]- 179.10776 141.6
[M+NH4]+ 198.14886 162.1
[M+K]+ 219.07820 144.3
[M+H-H2O]+ 163.11230 132.6
[M+HCOO]- 225.11324 156.1
[M+CH3COO]- 239.12889 180.5
[M+Na-2H]- 201.08971 143.1
[M]+ 180.11449 136.2
[M]- 180.11559 136.2
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