CID 142210

4,5-dimethyl-1,3-dioxol-2-one

Structural Information

Molecular Formula
C5H6O3
SMILES
CC1=C(OC(=O)O1)C
InChI
InChI=1S/C5H6O3/c1-3-4(2)8-5(6)7-3/h1-2H3
InChIKey
QYIOFABFKUOIBV-UHFFFAOYSA-N
Compound name
4,5-dimethyl-1,3-dioxol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

11095
Patents

114.03169 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.038966 114.3
[M+Na]+ 137.020908 125.6
[M-H]- 113.024414 120.4
[M+NH4]+ 132.065513 136.8
[M+K]+ 152.994848 127.6
[M+H-H2O]+ 97.028950 110.6
[M+HCOO]- 159.029891 139.9
[M+CH3COO]- 173.045541 166.9
[M+Na-2H]- 135.006356 123.2
[M]+ 114.03114142 119.1
[M]- 114.03223858 119.1
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