CID 524829

4,5-dimethyl-1,3-dioxolane

Structural Information

Molecular Formula
C5H10O2
SMILES
CC1C(OCO1)C
InChI
InChI=1S/C5H10O2/c1-4-5(2)7-3-6-4/h4-5H,3H2,1-2H3
InChIKey
GGQOXKOHMFKMLR-UHFFFAOYSA-N
Compound name
4,5-dimethyl-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

1205
Patents

102.06808 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 103.07536 117.2
[M+Na]+ 125.05730 125.2
[M-H]- 101.06080 122.2
[M+NH4]+ 120.10190 139.8
[M+K]+ 141.03124 127.8
[M+H-H2O]+ 85.065340 113.3
[M+HCOO]- 147.06628 139.4
[M+CH3COO]- 161.08193 165.3
[M+Na-2H]- 123.04275 124.7
[M]+ 102.06753 117.9
[M]- 102.06863 117.9
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