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: 1484
Patents: 180.11504 Da
Monoisotopic Mass: 2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	181.122316	136.1
[M+Na]+	203.104258	145.2
[M-H]-	179.107764	141.6
[M+NH4]+	198.148863	162.1
[M+K]+	219.078198	144.3
[M+H-H2O]+	163.112300	132.6
[M+HCOO]-	225.113241	156.1
[M+CH3COO]-	239.128891	180.5
[M+Na-2H]-	201.089706	143.1
[M]+	180.11449142	136.2
[M]-	180.11558858	136.2

Literature stripe

literature stripe

Patent stripe

patents stripe