CID 175216

Einecs 276-935-5

Structural Information

Molecular Formula
C15H22O2
SMILES
CC(C)C1=CC=C(C=C1)CC(C)C2OCCO2
InChI
InChI=1S/C15H22O2/c1-11(2)14-6-4-13(5-7-14)10-12(3)15-16-8-9-17-15/h4-7,11-12,15H,8-10H2,1-3H3
InChIKey
GOWQWVLKPNPEIG-UHFFFAOYSA-N
Compound name
2-[1-(4-propan-2-ylphenyl)propan-2-yl]-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

234.16199 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.169266 157.7
[M+Na]+ 257.151208 162.3
[M-H]- 233.154714 164.9
[M+NH4]+ 252.195813 174.4
[M+K]+ 273.125148 162.6
[M+H-H2O]+ 217.159250 151.4
[M+HCOO]- 279.160191 176.2
[M+CH3COO]- 293.175841 192.7
[M+Na-2H]- 255.136656 159.2
[M]+ 234.16144142 158.3
[M]- 234.16253858 158.3
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