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]+ 201.112136 142.4
[M+Na]+ 223.094078 149.3
[M-H]- 199.097584 147.4
[M+NH4]+ 218.138683 159.4
[M+K]+ 239.068018 151.4
[M+H-H2O]+ 183.102120 137.3
[M+HCOO]- 245.103061 159.7
[M+CH3COO]- 259.118711 187.6
[M+Na-2H]- 221.079526 144.9
[M]+ 200.10431142 144.0
[M]- 200.10540858 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