CID 62078

54208-63-8

Structural Information

Molecular Formula
C19H20O4
SMILES
C1C(O1)COC2=CC=CC=C2CC3=CC=CC=C3OCC4CO4
InChI
InChI=1S/C19H20O4/c1-3-7-18(22-12-16-10-20-16)14(5-1)9-15-6-2-4-8-19(15)23-13-17-11-21-17/h1-8,16-17H,9-13H2
InChIKey
FIJSKXFJFGTBRV-UHFFFAOYSA-N
Compound name
2-[[2-[[2-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

674
Patents

312.13617 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.14345 154.3
[M+Na]+ 335.12539 169.8
[M+NH4]+ 330.16999 162.8
[M+K]+ 351.09933 166.7
[M-H]- 311.12889 173.9
[M+Na-2H]- 333.11084 167.7
[M]+ 312.13562 164.2
[M]- 312.13672 164.2
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