CID 103008

Tropine acetate hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₇NO₂

SMILES

CC(=O)OC1CC2CCC(C1)N2C

InChI

InChI=1S/C10H17NO2/c1-7(12)13-10-5-8-3-4-9(6-10)11(8)2/h8-10H,3-6H2,1-2H3

InChIKey

MDIDMOWWLBGYPG-UHFFFAOYSA-N

Compound name

(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 21
Patents: 183.12593 Da
Monoisotopic Mass: 1.3
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]+	184.13321	141.8
[M+Na]+	206.11515	148.3
[M-H]-	182.11865	142.9
[M+NH4]+	201.15975	164.0
[M+K]+	222.08909	147.0
[M+H-H2O]+	166.12319	136.4
[M+HCOO]-	228.12413	158.9
[M+CH3COO]-	242.13978	182.7
[M+Na-2H]-	204.10060	144.5
[M]+	183.12538	140.5
[M]-	183.12648	140.5

Literature stripe

literature stripe

Patent stripe

patents stripe