CID 11970988

2,4-dipropyl-1,3-dioxolane

Structural Information

Molecular Formula
C9H18O2
SMILES
CCCC1COC(O1)CCC
InChI
InChI=1S/C9H18O2/c1-3-5-8-7-10-9(11-8)6-4-2/h8-9H,3-7H2,1-2H3
InChIKey
BMIAHVTUYOZZGB-UHFFFAOYSA-N
Compound name
2,4-dipropyl-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.13068 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.137956 136.5
[M+Na]+ 181.119898 142.7
[M-H]- 157.123404 140.7
[M+NH4]+ 176.164503 156.8
[M+K]+ 197.093838 144.3
[M+H-H2O]+ 141.127940 131.7
[M+HCOO]- 203.128881 157.3
[M+CH3COO]- 217.144531 177.4
[M+Na-2H]- 179.105346 141.7
[M]+ 158.13013142 138.6
[M]- 158.13122858 138.6
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.