CID 56843690

Einecs 271-189-7

Structural Information

Molecular Formula
C30H32O6
SMILES
CCC(C1=CC=C(C=C1)OCC2CO2)(C3=CC=C(C=C3)OCC4CO4)C5=CC=C(C=C5)OCC6CO6
InChI
InChI=1S/C30H32O6/c1-2-30(21-3-9-24(10-4-21)31-15-27-18-34-27,22-5-11-25(12-6-22)32-16-28-19-35-28)23-7-13-26(14-8-23)33-17-29-20-36-29/h3-14,27-29H,2,15-20H2,1H3
InChIKey
VLVBXHBIJRSJKD-UHFFFAOYSA-N
Compound name
2-[[4-[1,1-bis[4-(oxiran-2-ylmethoxy)phenyl]propyl]phenoxy]methyl]oxirane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

488.21988 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.22716 203.5
[M+Na]+ 511.20910 204.4
[M-H]- 487.21260 216.2
[M+NH4]+ 506.25370 194.2
[M+K]+ 527.18304 209.5
[M+H-H2O]+ 471.21714 196.5
[M+HCOO]- 533.21808 214.5
[M+CH3COO]- 547.23373 206.7
[M+Na-2H]- 509.19455 202.7
[M]+ 488.21933 212.2
[M]- 488.22043 212.2
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