CID 10654203

(4r,5r)-4,5-dimethyl-1,3-dioxolan-2-one

Structural Information

Molecular Formula
C5H8O3
SMILES
C[C@@H]1[C@H](OC(=O)O1)C
InChI
InChI=1S/C5H8O3/c1-3-4(2)8-5(6)7-3/h3-4H,1-2H3/t3-,4-/m1/s1
InChIKey
LWLOKSXSAUHTJO-QWWZWVQMSA-N
Compound name
(4R,5R)-4,5-dimethyl-1,3-dioxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

558
Patents

116.04734 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.054616 118.0
[M+Na]+ 139.036558 127.2
[M-H]- 115.040064 123.4
[M+NH4]+ 134.081163 140.2
[M+K]+ 155.010498 129.5
[M+H-H2O]+ 99.044600 114.3
[M+HCOO]- 161.045541 140.7
[M+CH3COO]- 175.061191 167.6
[M+Na-2H]- 137.022006 125.0
[M]+ 116.04679142 119.9
[M]- 116.04788858 119.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe