CID 102824

2461-46-3

Structural Information

Molecular Formula
C18H18O4
SMILES
C1C(O1)COC2=CC=C(C=C2)C3=CC=C(C=C3)OCC4CO4
InChI
InChI=1S/C18H18O4/c1-5-15(19-9-17-11-21-17)6-2-13(1)14-3-7-16(8-4-14)20-10-18-12-22-18/h1-8,17-18H,9-12H2
InChIKey
OZRVXYJWUUMVOW-UHFFFAOYSA-N
Compound name
2-[[4-[4-(oxiran-2-ylmethoxy)phenyl]phenoxy]methyl]oxirane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1610
Patents

298.1205 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.12778 151.4
[M+Na]+ 321.10972 167.0
[M+NH4]+ 316.15432 160.0
[M+K]+ 337.08366 164.1
[M-H]- 297.11322 171.1
[M+Na-2H]- 319.09517 165.0
[M]+ 298.11995 161.4
[M]- 298.12105 161.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe