Dtxsid80971709 (C17H34N4O10)

Structural Information

Molecular Formula

SMILES

C1C(C(C(C(C1N)OC2C(C(C(C(O2)CO)O)O)N)O)OC3C(C(C(CO3)O)O)N)N

InChI

InChI=1S/C17H34N4O10/c18-4-1-5(19)15(31-17-9(21)12(26)11(25)7(2-22)29-17)13(27)14(4)30-16-8(20)10(24)6(23)3-28-16/h4-17,22-27H,1-3,18-21H2

InChIKey

YNMRKGLUALDHIR-UHFFFAOYSA-N

Compound name

5-amino-6-[4,6-diamino-3-(3-amino-4,5-dihydroxyoxan-2-yl)oxy-2-hydroxycyclohexyl]oxy-2-(hydroxymethyl)oxane-3,4-diol

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]+	455.234776	208.3
[M+Na]+	477.216718	208.4
[M-H]-	453.220224	199.5
[M+NH4]+	472.261323	207.9
[M+K]+	493.190658	213.1
[M+H-H2O]+	437.224760	198.4
[M+HCOO]-	499.225701	210.3
[M+CH3COO]-	513.241351	241.4
[M+Na-2H]-	475.202166	238.8
[M]+	454.22695142	213.8
[M]-	454.22804858	213.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

455.234776

208.3

[M+Na]+

477.216718

208.4

[M-H]-

453.220224

199.5

[M+NH4]+

472.261323

207.9

[M+K]+

493.190658

213.1

[M+H-H2O]+

437.224760

198.4

[M+HCOO]-

499.225701

210.3

[M+CH3COO]-

513.241351

241.4

[M+Na-2H]-

475.202166

238.8

[M]+

454.22695142

213.8

[M]-

454.22804858

213.8

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

Dtxsid80971709

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe