CID 11008853

162691-58-9

Structural Information

Molecular Formula

C₁₁H₁₆O₃

SMILES

CC1OC2CC(C(=O)C(=C2O1)C)(C)C

InChI

InChI=1S/C11H16O3/c1-6-9-8(13-7(2)14-9)5-11(3,4)10(6)12/h7-8H,5H2,1-4H3

InChIKey

WLRQAQBEUMCHCZ-UHFFFAOYSA-N

Compound name

2,4,6,6-tetramethyl-7,7a-dihydro-1,3-benzodioxol-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 196.10994 Da
Monoisotopic Mass: 1.6
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]+	197.117216	138.9
[M+Na]+	219.099158	148.9
[M-H]-	195.102664	145.4
[M+NH4]+	214.143763	161.5
[M+K]+	235.073098	149.3
[M+H-H2O]+	179.107200	135.6
[M+HCOO]-	241.108141	158.1
[M+CH3COO]-	255.123791	185.5
[M+Na-2H]-	217.084606	144.6
[M]+	196.10939142	141.6
[M]-	196.11048858	141.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe