PubChemLite - 37208-53-0 (C33H69NO12)

Structural Information

Molecular Formula

SMILES

CC(CO)OCC(C)OCC(C)OCCN(CCOCC(C)OCC(C)OCC(C)O)CCOCC(C)OCC(C)OCC(C)O

InChI

InChI=1S/C33H69NO12/c1-25(36)17-41-31(7)23-44-28(4)19-38-13-10-34(11-14-39-20-29(5)45-24-32(8)42-18-26(2)37)12-15-40-30(6)21-46-33(9)22-43-27(3)16-35/h25-33,35-37H,10-24H2,1-9H3

InChIKey

HEYRCBWUZAIFAM-UHFFFAOYSA-N

Compound name

2-[2-[2-[2-[bis[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]ethyl]amino]ethoxy]propoxy]propoxy]propan-1-ol

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]+	672.48928	276.8
[M+Na]+	694.47122	279.9
[M-H]-	670.47472	277.8
[M+NH4]+	689.51582	290.7
[M+K]+	710.44516	283.6
[M+H-H2O]+	654.47926	279.4
[M+HCOO]-	716.48020	257.0
[M+CH3COO]-	730.49585	275.6
[M+Na-2H]-	692.45667	260.6
[M]+	671.48145	277.4
[M]-	671.48255	277.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

672.48928

276.8

[M+Na]+

694.47122

279.9

[M-H]-

670.47472

277.8

[M+NH4]+

689.51582

290.7

[M+K]+

710.44516

283.6

[M+H-H2O]+

654.47926

279.4

[M+HCOO]-

716.48020

257.0

[M+CH3COO]-

730.49585

275.6

[M+Na-2H]-

692.45667

260.6

[M]+

671.48145

277.4

[M]-

671.48255

277.5

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

37208-53-0

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe