CID 4460493

2,2-dimethyl-1,3-dioxolan-4-one

Structural Information

Molecular Formula
C5H8O3
SMILES
CC1(OCC(=O)O1)C
InChI
InChI=1S/C5H8O3/c1-5(2)7-3-4(6)8-5/h3H2,1-2H3
InChIKey
JKUCOZWILDFXMF-UHFFFAOYSA-N
Compound name
2,2-dimethyl-1,3-dioxolan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

118
Patents

116.04734 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.05462 119.1
[M+Na]+ 139.03656 129.9
[M+NH4]+ 134.08116 128.8
[M+K]+ 155.01050 126.1
[M-H]- 115.04006 122.2
[M+Na-2H]- 137.02201 124.2
[M]+ 116.04679 121.5
[M]- 116.04789 121.5
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