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

111
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 121.4
[M+Na]+ 139.07295 129.9
[M-H]- 115.07645 126.6
[M+NH4]+ 134.11755 143.7
[M+K]+ 155.04689 132.2
[M+H-H2O]+ 99.080990 117.6
[M+HCOO]- 161.08193 143.3
[M+CH3COO]- 175.09758 169.5
[M+Na-2H]- 137.05840 127.7
[M]+ 116.08318 122.9
[M]- 116.08428 122.9
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