CID 11971267

2-ethyl-4-methyl-2-pentyl-1,3-dioxolane

Structural Information

Molecular Formula
C11H22O2
SMILES
CCCCCC1(OCC(O1)C)CC
InChI
InChI=1S/C11H22O2/c1-4-6-7-8-11(5-2)12-9-10(3)13-11/h10H,4-9H2,1-3H3
InChIKey
JQRFKHALYVCDPD-UHFFFAOYSA-N
Compound name
2-ethyl-4-methyl-2-pentyl-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.16199 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.169266 143.5
[M+Na]+ 209.151208 149.8
[M-H]- 185.154714 147.7
[M+NH4]+ 204.195813 164.7
[M+K]+ 225.125148 151.0
[M+H-H2O]+ 169.159250 139.3
[M+HCOO]- 231.160191 163.7
[M+CH3COO]- 245.175841 183.0
[M+Na-2H]- 207.136656 149.0
[M]+ 186.16144142 146.7
[M]- 186.16253858 146.7
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.