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

241
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 116.6
[M+Na]+ 139.03656 125.7
[M-H]- 115.04006 122.0
[M+NH4]+ 134.08116 140.5
[M+K]+ 155.01050 128.3
[M+H-H2O]+ 99.044600 113.6
[M+HCOO]- 161.04554 139.3
[M+CH3COO]- 175.06119 166.0
[M+Na-2H]- 137.02201 125.6
[M]+ 116.04679 118.4
[M]- 116.04789 118.4
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