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

0
Patents

234.16199 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.16927 157.7
[M+Na]+ 257.15121 162.3
[M-H]- 233.15471 164.9
[M+NH4]+ 252.19581 174.4
[M+K]+ 273.12515 162.6
[M+H-H2O]+ 217.15925 151.4
[M+HCOO]- 279.16019 176.2
[M+CH3COO]- 293.17584 192.7
[M+Na-2H]- 255.13666 159.2
[M]+ 234.16144 158.3
[M]- 234.16254 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

No patent data available for this compound.