PubChemLite - 20297-05-6 (C40H83O12P)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCOCCOCCOCCOCCOP(=O)(O)OCCOCCOCCOCCOCCCCCCCCCCCC

InChI

InChI=1S/C40H83O12P/c1-3-5-7-9-11-13-15-17-19-21-23-43-25-27-45-29-31-47-33-35-49-37-39-51-53(41,42)52-40-38-50-36-34-48-32-30-46-28-26-44-24-22-20-18-16-14-12-10-8-6-4-2/h3-40H2,1-2H3,(H,41,42)

InChIKey

NRPWCKZJQUDHFY-UHFFFAOYSA-N

Compound name

bis[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethyl] hydrogen phosphate

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]+	787.56948	302.2
[M+Na]+	809.55142	298.4
[M-H]-	785.55492	286.5
[M+NH4]+	804.59602	305.7
[M+K]+	825.52536	300.8
[M+H-H2O]+	769.55946	292.1
[M+HCOO]-	831.56040	308.9
[M+CH3COO]-	845.57605	290.0
[M+Na-2H]-	807.53687	275.8
[M]+	786.56165	303.9
[M]-	786.56275	303.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

787.56948

302.2

[M+Na]+

809.55142

298.4

[M-H]-

785.55492

286.5

[M+NH4]+

804.59602

305.7

[M+K]+

825.52536

300.8

[M+H-H2O]+

769.55946

292.1

[M+HCOO]-

831.56040

308.9

[M+CH3COO]-

845.57605

290.0

[M+Na-2H]-

807.53687

275.8

[M]+

786.56165

303.9

[M]-

786.56275

303.9

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

20297-05-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe