CID 22889128

21150-70-9

Structural Information

Molecular Formula

C₁₀H₁₆O₄

SMILES

CC(C)[C@H]1C(=O)O[C@H](C(=O)O1)C(C)C

InChI

InChI=1S/C10H16O4/c1-5(2)7-9(11)14-8(6(3)4)10(12)13-7/h5-8H,1-4H3/t7-,8-/m0/s1

InChIKey

VWLSLDJSZWJMRG-YUMQZZPRSA-N

Compound name

(3S,6S)-3,6-di(propan-2-yl)-1,4-dioxane-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 200.10486 Da
Monoisotopic Mass: 2.6
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]+	201.11214	143.2
[M+Na]+	223.09408	153.6
[M+NH4]+	218.13868	149.8
[M+K]+	239.06802	150.7
[M-H]-	199.09758	145.9
[M+Na-2H]-	221.07953	144.7
[M]+	200.10431	145.2
[M]-	200.10541	145.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe