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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.11214 142.4
[M+Na]+ 223.09408 149.3
[M-H]- 199.09758 147.4
[M+NH4]+ 218.13868 159.4
[M+K]+ 239.06802 151.4
[M+H-H2O]+ 183.10212 137.3
[M+HCOO]- 245.10306 159.7
[M+CH3COO]- 259.11871 187.6
[M+Na-2H]- 221.07953 144.9
[M]+ 200.10431 144.0
[M]- 200.10541 144.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe