PubChemLite - 7328-97-4 (C38H38O8)

Structural Information

Molecular Formula

SMILES

C1C(O1)COC2=CC=C(C=C2)C(C3=CC=C(C=C3)OCC4CO4)C(C5=CC=C(C=C5)OCC6CO6)C7=CC=C(C=C7)OCC8CO8

InChI

InChI=1S/C38H38O8/c1-9-29(39-17-33-21-43-33)10-2-25(1)37(26-3-11-30(12-4-26)40-18-34-22-44-34)38(27-5-13-31(14-6-27)41-19-35-23-45-35)28-7-15-32(16-8-28)42-20-36-24-46-36/h1-16,33-38H,17-24H2

InChIKey

HDDQXUDCEIMISH-UHFFFAOYSA-N

Compound name

2-[[4-[1,2,2-tris[4-(oxiran-2-ylmethoxy)phenyl]ethyl]phenoxy]methyl]oxirane

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	623.26393	201.6
[M+Na]+	645.24587	197.2
[M-H]-	621.24937	211.7
[M+NH4]+	640.29047	187.6
[M+K]+	661.21981	206.2
[M+H-H2O]+	605.25391	197.1
[M+HCOO]-	667.25485	206.9
[M+CH3COO]-	681.27050	200.6
[M+Na-2H]-	643.23132	196.3
[M]+	622.25610	208.0
[M]-	622.25720	208.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

623.26393

201.6

[M+Na]+

645.24587

197.2

[M-H]-

621.24937

211.7

[M+NH4]+

640.29047

187.6

[M+K]+

661.21981

206.2

[M+H-H2O]+

605.25391

197.1

[M+HCOO]-

667.25485

206.9

[M+CH3COO]-

681.27050

200.6

[M+Na-2H]-

643.23132

196.3

[M]+

622.25610

208.0

[M]-

622.25720

208.0

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

7328-97-4

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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