CID 56843690

1,1,1-tris(p-glycidyloxyphenyl)propane

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

5
Patents

488.21988 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.227156 203.5
[M+Na]+ 511.209098 204.4
[M-H]- 487.212604 216.2
[M+NH4]+ 506.253703 194.2
[M+K]+ 527.183038 209.5
[M+H-H2O]+ 471.217140 196.5
[M+HCOO]- 533.218081 214.5
[M+CH3COO]- 547.233731 206.7
[M+Na-2H]- 509.194546 202.7
[M]+ 488.21933142 212.2
[M]- 488.22042858 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