PubChemLite - Huperzine a (C15H18N2O)

Structural Information

Molecular Formula

SMILES

C/C=C/1\[C@@H]2CC3=C([C@]1(CC(=C2)C)N)C=CC(=O)N3

InChI

InChI=1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-6,10H,7-8,16H2,1-2H3,(H,17,18)/b11-3+/t10-,15+/m0/s1

InChIKey

ZRJBHWIHUMBLCN-YQEJDHNASA-N

Compound name

(1R,9R,13E)-1-amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,10-trien-5-one

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]+	243.14918	155.4
[M+Na]+	265.13112	164.5
[M-H]-	241.13462	156.4
[M+NH4]+	260.17572	175.7
[M+K]+	281.10506	158.3
[M+H-H2O]+	225.13916	149.0
[M+HCOO]-	287.14010	171.1
[M+CH3COO]-	301.15575	166.5
[M+Na-2H]-	263.11657	161.9
[M]+	242.14135	151.5
[M]-	242.14245	151.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

243.14918

155.4

[M+Na]+

265.13112

164.5

[M-H]-

241.13462

156.4

[M+NH4]+

260.17572

175.7

[M+K]+

281.10506

158.3

[M+H-H2O]+

225.13916

149.0

[M+HCOO]-

287.14010

171.1

[M+CH3COO]-

301.15575

166.5

[M+Na-2H]-

263.11657

161.9

[M]+

242.14135

151.5

[M]-

242.14245

151.5

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

Huperzine a

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe