PubChemLite - Streptidine 6-phosphate dianion (C8H19N6O7P)

Structural Information

Molecular Formula

SMILES

[C@@H]1([C@@H]([C@H]([C@@H]([C@H]([C@@H]1O)O)OP(=O)(O)O)N=C(N)N)O)N=C(N)N

InChI

InChI=1S/C8H19N6O7P/c9-7(10)13-1-3(15)2(14-8(11)12)6(5(17)4(1)16)21-22(18,19)20/h1-6,15-17H,(H4,9,10,13)(H4,11,12,14)(H2,18,19,20)/t1-,2+,3-,4+,5-,6-/m0/s1

InChIKey

UUUGVWGQJIFFRM-FUHDGFEASA-N

Compound name

[(1S,2R,3S,4S,5R,6S)-2,4-bis(diaminomethylideneamino)-3,5,6-trihydroxycyclohexyl] dihydrogen 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]+	343.11258	166.1
[M+Na]+	365.09452	167.7
[M-H]-	341.09802	162.7
[M+NH4]+	360.13912	174.7
[M+K]+	381.06846	169.0
[M+H-H2O]+	325.10256	156.7
[M+HCOO]-	387.10350	188.2
[M+CH3COO]-	401.11915	223.1
[M+Na-2H]-	363.07997	161.8
[M]+	342.10475	156.2
[M]-	342.10585	156.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

343.11258

166.1

[M+Na]+

365.09452

167.7

[M-H]-

341.09802

162.7

[M+NH4]+

360.13912

174.7

[M+K]+

381.06846

169.0

[M+H-H2O]+

325.10256

156.7

[M+HCOO]-

387.10350

188.2

[M+CH3COO]-

401.11915

223.1

[M+Na-2H]-

363.07997

161.8

[M]+

342.10475

156.2

[M]-

342.10585

156.2

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

Streptidine 6-phosphate dianion

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe