Schradan (C8H24N4O3P2)

Structural Information

Molecular Formula

C₈H₂₄N₄O₃P₂

SMILES

CN(C)P(=O)(N(C)C)OP(=O)(N(C)C)N(C)C

InChI

InChI=1S/C8H24N4O3P2/c1-9(2)16(13,10(3)4)15-17(14,11(5)6)12(7)8/h1-8H3

InChIKey

SZKKRCSOSQAJDE-UHFFFAOYSA-N

Compound name

N-[bis(dimethylamino)phosphoryloxy-(dimethylamino)phosphoryl]-N-methylmethanamine

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]+	287.139626	165.7
[M+Na]+	309.121568	169.5
[M-H]-	285.125074	169.4
[M+NH4]+	304.166173	203.7
[M+K]+	325.095508	175.3
[M+H-H2O]+	269.129610	154.8
[M+HCOO]-	331.130551	202.9
[M+CH3COO]-	345.146201	225.8
[M+Na-2H]-	307.107016	166.3
[M]+	286.13180142	174.5
[M]-	286.13289858	174.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

287.139626

165.7

[M+Na]+

309.121568

169.5

[M-H]-

285.125074

169.4

[M+NH4]+

304.166173

203.7

[M+K]+

325.095508

175.3

[M+H-H2O]+

269.129610

154.8

[M+HCOO]-

331.130551

202.9

[M+CH3COO]-

345.146201

225.8

[M+Na-2H]-

307.107016

166.3

[M]+

286.13180142

174.5

[M]-

286.13289858

174.5

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

Schradan

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe