CID 64695

Apoatropine hcl

Structural Information

Molecular Formula

C₁₇H₂₁NO₂

SMILES

CN1C2CCC1CC(C2)OC(=O)C(=C)C3=CC=CC=C3

InChI

InChI=1S/C17H21NO2/c1-12(13-6-4-3-5-7-13)17(19)20-16-10-14-8-9-15(11-16)18(14)2/h3-7,14-16H,1,8-11H2,2H3

InChIKey

WPUIZWXOSDVQJU-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 7
References: 902
Patents: 271.15723 Da
Monoisotopic Mass: 3.6
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]+	272.16451	165.5
[M+Na]+	294.14645	170.0
[M-H]-	270.14995	169.2
[M+NH4]+	289.19105	183.4
[M+K]+	310.12039	166.3
[M+H-H2O]+	254.15449	158.1
[M+HCOO]-	316.15543	180.9
[M+CH3COO]-	330.17108	199.5
[M+Na-2H]-	292.13190	165.4
[M]+	271.15668	162.7
[M]-	271.15778	162.7

Literature stripe

literature stripe

Patent stripe

patents stripe