PubChemLite - Fructoselysine 6-phosphate(1-) (C12H25N2O10P)

Structural Information

Molecular Formula

SMILES

C(CCNCC(=O)[C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)C[C@@H](C(=O)O)N

InChI

InChI=1S/C12H25N2O10P/c13-7(12(19)20)3-1-2-4-14-5-8(15)10(17)11(18)9(16)6-24-25(21,22)23/h7,9-11,14,16-18H,1-6,13H2,(H,19,20)(H2,21,22,23)/t7-,9+,10+,11+/m0/s1

InChIKey

ZICZRZZPXBCXCE-AYHFEMFVSA-N

Compound name

(2S)-2-amino-6-[[(3S,4R,5R)-3,4,5-trihydroxy-2-oxo-6-phosphonooxyhexyl]amino]hexanoic 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]+	389.13198	184.4
[M+Na]+	411.11392	187.3
[M-H]-	387.11742	189.5
[M+NH4]+	406.15852	182.5
[M+K]+	427.08786	179.1
[M+H-H2O]+	371.12196	172.3
[M+HCOO]-	433.12290	176.8
[M+CH3COO]-	447.13855	213.9
[M+Na-2H]-	409.09937	171.9
[M]+	388.12415	173.2
[M]-	388.12525	173.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

389.13198

184.4

[M+Na]+

411.11392

187.3

[M-H]-

387.11742

189.5

[M+NH4]+

406.15852

182.5

[M+K]+

427.08786

179.1

[M+H-H2O]+

371.12196

172.3

[M+HCOO]-

433.12290

176.8

[M+CH3COO]-

447.13855

213.9

[M+Na-2H]-

409.09937

171.9

[M]+

388.12415

173.2

[M]-

388.12525

173.2

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

Fructoselysine 6-phosphate(1-)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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