CID 58243

2-ethyl-2-(p-methoxyphenyl)-1,3-dioxolane-4-methanol

Structural Information

Molecular Formula
C13H18O4
SMILES
CCC1(OCC(O1)CO)C2=CC=C(C=C2)OC
InChI
InChI=1S/C13H18O4/c1-3-13(16-9-12(8-14)17-13)10-4-6-11(15-2)7-5-10/h4-7,12,14H,3,8-9H2,1-2H3
InChIKey
STPVOTFJRXHVNP-UHFFFAOYSA-N
Compound name
[2-ethyl-2-(4-methoxyphenyl)-1,3-dioxolan-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.12051 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.127786 151.7
[M+Na]+ 261.109728 159.0
[M-H]- 237.113234 158.6
[M+NH4]+ 256.154333 170.0
[M+K]+ 277.083668 159.4
[M+H-H2O]+ 221.117770 146.5
[M+HCOO]- 283.118711 171.9
[M+CH3COO]- 297.134361 187.2
[M+Na-2H]- 259.095176 157.3
[M]+ 238.11996142 154.8
[M]- 238.12105858 154.8
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.