CID 5281865

Tigloidine

Structural Information

Molecular Formula

C₁₃H₂₁NO₂

SMILES

C/C=C(\C)/C(=O)OC1CC2CCC(C1)N2C

InChI

InChI=1S/C13H21NO2/c1-4-9(2)13(15)16-12-7-10-5-6-11(8-12)14(10)3/h4,10-12H,5-8H2,1-3H3/b9-4+

InChIKey

UVHGSMZRSVGWDJ-RUDMXATFSA-N

Compound name

(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) (E)-2-methylbut-2-enoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 319
Patents: 223.15723 Da
Monoisotopic Mass: 2.5
XlogP (predicted)

Profile

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]+	224.16451	153.9
[M+Na]+	246.14645	162.2
[M+NH4]+	241.19105	161.6
[M+K]+	262.12039	158.6
[M-H]-	222.14995	153.0
[M+Na-2H]-	244.13190	153.7
[M]+	223.15668	154.4
[M]-	223.15778	154.4

Literature stripe

literature stripe

Patent stripe

patents stripe