Nlmfvjsigdijbb-uhfffaoysa-n (C44H84N2O6)

Structural Information

Molecular Formula

SMILES

CCCCCCCCON1C(CCC(C1(C)C)OC(=O)CCCCCCCCC(=O)OC2CCC(N(C2(C)C)OCCCCCCCC)(C)C)(C)C

InChI

InChI=1S/C44H84N2O6/c1-11-13-15-17-23-27-35-49-45-41(3,4)33-31-37(43(45,7)8)51-39(47)29-25-21-19-20-22-26-30-40(48)52-38-32-34-42(5,6)46(44(38,9)10)50-36-28-24-18-16-14-12-2/h37-38H,11-36H2,1-10H3

InChIKey

NLMFVJSIGDIJBB-UHFFFAOYSA-N

Compound name

bis(2,2,6,6-tetramethyl-1-octoxypiperidin-3-yl) decanedioate

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]+	737.640206	273.4
[M+Na]+	759.622148	292.0
[M-H]-	735.625654	275.7
[M+NH4]+	754.666753	292.3
[M+K]+	775.596088	267.6
[M+H-H2O]+	719.630190	265.5
[M+HCOO]-	781.631131	297.4
[M+CH3COO]-	795.646781	290.4
[M+Na-2H]-	757.607596	263.8
[M]+	736.63238142	285.3
[M]-	736.63347858	285.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

737.640206

273.4

[M+Na]+

759.622148

292.0

[M-H]-

735.625654

275.7

[M+NH4]+

754.666753

292.3

[M+K]+

775.596088

267.6

[M+H-H2O]+

719.630190

265.5

[M+HCOO]-

781.631131

297.4

[M+CH3COO]-

795.646781

290.4

[M+Na-2H]-

757.607596

263.8

[M]+

736.63238142

285.3

[M]-

736.63347858

285.3

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

Nlmfvjsigdijbb-uhfffaoysa-n

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe