PubChemLite - 2-hydroxygentamicin c1 (C21H43N5O8)

Structural Information

Molecular Formula

SMILES

CC(C1CCC(C(O1)OC2C(C(C(C(C2O)OC3C(C(C(CO3)(C)O)NC)O)N)O)N)N)NC

InChI

InChI=1S/C21H43N5O8/c1-8(25-3)10-6-5-9(22)19(32-10)33-16-11(23)13(27)12(24)17(14(16)28)34-20-15(29)18(26-4)21(2,30)7-31-20/h8-20,25-30H,5-7,22-24H2,1-4H3

InChIKey

VAVZWASKZVXMFU-UHFFFAOYSA-N

Compound name

2-[2,4-diamino-5-[3-amino-6-[1-(methylamino)ethyl]oxan-2-yl]oxy-3,6-dihydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-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]+	494.31844	220.4
[M+Na]+	516.30038	221.1
[M-H]-	492.30388	213.2
[M+NH4]+	511.34498	220.7
[M+K]+	532.27432	223.6
[M+H-H2O]+	476.30842	209.3
[M+HCOO]-	538.30936	222.7
[M+CH3COO]-	552.32501	255.1
[M+Na-2H]-	514.28583	253.9
[M]+	493.31061	231.5
[M]-	493.31171	231.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

494.31844

220.4

[M+Na]+

516.30038

221.1

[M-H]-

492.30388

213.2

[M+NH4]+

511.34498

220.7

[M+K]+

532.27432

223.6

[M+H-H2O]+

476.30842

209.3

[M+HCOO]-

538.30936

222.7

[M+CH3COO]-

552.32501

255.1

[M+Na-2H]-

514.28583

253.9

[M]+

493.31061

231.5

[M]-

493.31171

231.5

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

2-hydroxygentamicin c1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe