CID 114560

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

Structural Information

Molecular Formula
C8H16O2
SMILES
CCCC1OCC(O1)(C)C
InChI
InChI=1S/C8H16O2/c1-4-5-7-9-6-8(2,3)10-7/h7H,4-6H2,1-3H3
InChIKey
ASGJWJIFWZSCDB-UHFFFAOYSA-N
Compound name
4,4-dimethyl-2-propyl-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

144.11504 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.122316 129.3
[M+Na]+ 167.104258 136.9
[M-H]- 143.107764 134.1
[M+NH4]+ 162.148863 152.2
[M+K]+ 183.078198 138.9
[M+H-H2O]+ 127.112300 125.7
[M+HCOO]- 189.113241 150.5
[M+CH3COO]- 203.128891 173.9
[M+Na-2H]- 165.089706 136.5
[M]+ 144.11449142 131.4
[M]- 144.11558858 131.4
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

No patent data available for this compound.