CID 102967

2,4,5-trimethyl-1,3-dioxolane

Structural Information

Molecular Formula
C6H12O2
SMILES
CC1C(OC(O1)C)C
InChI
InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7-4/h4-6H,1-3H3
InChIKey
HLEXJAVJCZLRTH-UHFFFAOYSA-N
Compound name
2,4,5-trimethyl-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

92
Patents

116.08373 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.09101 121.1
[M+Na]+ 139.07295 132.5
[M+NH4]+ 134.11755 130.1
[M+K]+ 155.04689 129.8
[M-H]- 115.07645 125.1
[M+Na-2H]- 137.05840 124.8
[M]+ 116.08318 123.8
[M]- 116.08428 123.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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