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]+ 239.12779 151.7
[M+Na]+ 261.10973 159.0
[M-H]- 237.11323 158.6
[M+NH4]+ 256.15433 170.0
[M+K]+ 277.08367 159.4
[M+H-H2O]+ 221.11777 146.5
[M+HCOO]- 283.11871 171.9
[M+CH3COO]- 297.13436 187.2
[M+Na-2H]- 259.09518 157.3
[M]+ 238.11996 154.8
[M]- 238.12106 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.