CID 229701

5458-26-4

Structural Information

Molecular Formula
C12H16O2
SMILES
CC(C)C1=CC=C(C=C1)C2OCCO2
InChI
InChI=1S/C12H16O2/c1-9(2)10-3-5-11(6-4-10)12-13-7-8-14-12/h3-6,9,12H,7-8H2,1-2H3
InChIKey
NXCFVTQVXAKKRD-UHFFFAOYSA-N
Compound name
2-(4-propan-2-ylphenyl)-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.11504 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.122316 142.8
[M+Na]+ 215.104258 149.0
[M-H]- 191.107764 150.5
[M+NH4]+ 210.148863 161.3
[M+K]+ 231.078198 149.6
[M+H-H2O]+ 175.112300 137.0
[M+HCOO]- 237.113241 163.3
[M+CH3COO]- 251.128891 182.8
[M+Na-2H]- 213.089706 147.2
[M]+ 192.11449142 142.9
[M]- 192.11558858 142.9
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.