CID 22737

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

Structural Information

Molecular Formula
C8H16O2
SMILES
CCCC1(OCC(O1)C)C
InChI
InChI=1S/C8H16O2/c1-4-5-8(3)9-6-7(2)10-8/h7H,4-6H2,1-3H3
InChIKey
YANXWVZZCXIZDQ-UHFFFAOYSA-N
Compound name
2,4-dimethyl-2-propyl-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

144.11504 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.12232 129.3
[M+Na]+ 167.10426 136.9
[M-H]- 143.10776 134.1
[M+NH4]+ 162.14886 152.2
[M+K]+ 183.07820 138.9
[M+H-H2O]+ 127.11230 125.7
[M+HCOO]- 189.11324 150.5
[M+CH3COO]- 203.12889 173.9
[M+Na-2H]- 165.08971 136.5
[M]+ 144.11449 131.4
[M]- 144.11559 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

patents stripe