PubChemLite - Hdtmp (C10H28N2O12P4)

Structural Information

Molecular Formula

SMILES

C(CCCN(CP(=O)(O)O)CP(=O)(O)O)CCN(CP(=O)(O)O)CP(=O)(O)O

InChI

InChI=1S/C10H28N2O12P4/c13-25(14,15)7-11(8-26(16,17)18)5-3-1-2-4-6-12(9-27(19,20)21)10-28(22,23)24/h1-10H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)

InChIKey

KIDJHPQACZGFTI-UHFFFAOYSA-N

Compound name

[6-[bis(phosphonomethyl)amino]hexyl-(phosphonomethyl)amino]methylphosphonic acid

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]+	493.06655	208.6
[M+Na]+	515.04849	206.5
[M-H]-	491.05199	215.4
[M+NH4]+	510.09309	208.8
[M+K]+	531.02243	197.1
[M+H-H2O]+	475.05653	171.1
[M+HCOO]-	537.05747	215.1
[M+CH3COO]-	551.07312	230.8
[M+Na-2H]-	513.03394	187.5
[M]+	492.05872	201.5
[M]-	492.05982	201.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

493.06655

208.6

[M+Na]+

515.04849

206.5

[M-H]-

491.05199

215.4

[M+NH4]+

510.09309

208.8

[M+K]+

531.02243

197.1

[M+H-H2O]+

475.05653

171.1

[M+HCOO]-

537.05747

215.1

[M+CH3COO]-

551.07312

230.8

[M+Na-2H]-

513.03394

187.5

[M]+

492.05872

201.5

[M]-

492.05982

201.5

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

Hdtmp

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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