CID 11971330

2-(1-methylpentyl)-4-phenyl-1,3-dioxolane

Structural Information

Molecular Formula
C15H22O2
SMILES
CCCCC(C)C1OCC(O1)C2=CC=CC=C2
InChI
InChI=1S/C15H22O2/c1-3-4-8-12(2)15-16-11-14(17-15)13-9-6-5-7-10-13/h5-7,9-10,12,14-15H,3-4,8,11H2,1-2H3
InChIKey
BINOLRXOEXUHNT-UHFFFAOYSA-N
Compound name
2-hexan-2-yl-4-phenyl-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.16199 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.169266 157.2
[M+Na]+ 257.151208 162.1
[M-H]- 233.154714 164.3
[M+NH4]+ 252.195813 174.0
[M+K]+ 273.125148 161.9
[M+H-H2O]+ 217.159250 150.8
[M+HCOO]- 279.160191 176.7
[M+CH3COO]- 293.175841 191.8
[M+Na-2H]- 255.136656 159.9
[M]+ 234.16144142 158.4
[M]- 234.16253858 158.4
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.