PubChemLite - Dihydroartemisinin (C15H24O5)

Structural Information

Molecular Formula

SMILES

C[C@@H]1CC[C@H]2[C@H]([C@H](O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)O)C

InChI

InChI=1S/C15H24O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-13,16H,4-7H2,1-3H3/t8-,9-,10+,11+,12+,13-,14-,15-/m1/s1

InChIKey

BJDCWCLMFKKGEE-ISOSDAIHSA-N

Compound name

(1R,4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-ol

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]+	285.16966	159.9
[M+Na]+	307.15160	167.5
[M-H]-	283.15510	164.7
[M+NH4]+	302.19620	176.8
[M+K]+	323.12554	165.5
[M+H-H2O]+	267.15964	157.9
[M+HCOO]-	329.16058	162.7
[M+CH3COO]-	343.17623	168.6
[M+Na-2H]-	305.13705	169.3
[M]+	284.16183	159.7
[M]-	284.16293	159.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

285.16966

159.9

[M+Na]+

307.15160

167.5

[M-H]-

283.15510

164.7

[M+NH4]+

302.19620

176.8

[M+K]+

323.12554

165.5

[M+H-H2O]+

267.15964

157.9

[M+HCOO]-

329.16058

162.7

[M+CH3COO]-

343.17623

168.6

[M+Na-2H]-

305.13705

169.3

[M]+

284.16183

159.7

[M]-

284.16293

159.7

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

Dihydroartemisinin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe