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: 8
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]+	197.11722	140.4
[M+Na]+	219.09916	152.2
[M+NH4]+	214.14376	150.5
[M+K]+	235.07310	147.4
[M-H]-	195.10266	144.6
[M+Na-2H]-	217.08461	144.0
[M]+	196.10939	143.4
[M]-	196.11049	143.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe