CID 109457

68527-76-4

Structural Information

Molecular Formula
C12H16O4
SMILES
CCOC1=C(C=CC(=C1)C2OCC(O2)C)O
InChI
InChI=1S/C12H16O4/c1-3-14-11-6-9(4-5-10(11)13)12-15-7-8(2)16-12/h4-6,8,12-13H,3,7H2,1-2H3
InChIKey
IFUIILQWHYHIEK-UHFFFAOYSA-N
Compound name
2-ethoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

1117
Patents

224.10486 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.11214 148.2
[M+Na]+ 247.09408 155.9
[M-H]- 223.09758 155.2
[M+NH4]+ 242.13868 165.2
[M+K]+ 263.06802 156.1
[M+H-H2O]+ 207.10212 142.6
[M+HCOO]- 269.10306 168.6
[M+CH3COO]- 283.11871 185.9
[M+Na-2H]- 245.07953 152.2
[M]+ 224.10431 150.9
[M]- 224.10541 150.9
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

patents stripe