PubChemLite - Topiramate (C12H21NO8S)

Structural Information

Molecular Formula

SMILES

CC1(O[C@@H]2CO[C@@]3([C@H]([C@@H]2O1)OC(O3)(C)C)COS(=O)(=O)N)C

InChI

InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1

InChIKey

KJADKKWYZYXHBB-XBWDGYHZSA-N

Compound name

[(1R,2S,6S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl]methyl sulfamate

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]+	340.10608	162.6
[M+Na]+	362.08802	171.0
[M-H]-	338.09152	169.8
[M+NH4]+	357.13262	180.7
[M+K]+	378.06196	176.1
[M+H-H2O]+	322.09606	164.0
[M+HCOO]-	384.09700	171.3
[M+CH3COO]-	398.11265	207.1
[M+Na-2H]-	360.07347	173.3
[M]+	339.09825	171.9
[M]-	339.09935	171.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

340.10608

162.6

[M+Na]+

362.08802

171.0

[M-H]-

338.09152

169.8

[M+NH4]+

357.13262

180.7

[M+K]+

378.06196

176.1

[M+H-H2O]+

322.09606

164.0

[M+HCOO]-

384.09700

171.3

[M+CH3COO]-

398.11265

207.1

[M+Na-2H]-

360.07347

173.3

[M]+

339.09825

171.9

[M]-

339.09935

171.9

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

Topiramate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe