CID 98083

2-ethyl-2,4-dimethyl-1,3-dioxolane

Structural Information

Molecular Formula
C7H14O2
SMILES
CCC1(OCC(O1)C)C
InChI
InChI=1S/C7H14O2/c1-4-7(3)8-5-6(2)9-7/h6H,4-5H2,1-3H3
InChIKey
MMEAMWZNWXLIIZ-UHFFFAOYSA-N
Compound name
2-ethyl-2,4-dimethyl-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

547
Patents

130.09938 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.106656 124.5
[M+Na]+ 153.088598 132.5
[M-H]- 129.092104 129.5
[M+NH4]+ 148.133203 148.0
[M+K]+ 169.062538 134.8
[M+H-H2O]+ 113.096640 121.2
[M+HCOO]- 175.097581 146.1
[M+CH3COO]- 189.113231 170.9
[M+Na-2H]- 151.074046 132.3
[M]+ 130.09883142 126.3
[M]- 130.09992858 126.3
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