CID 79037

Tropane, hydrochloride

Structural Information

Molecular Formula

C₈H₁₅N

SMILES

CN1C2CCCC1CC2

InChI

InChI=1S/C8H15N/c1-9-7-3-2-4-8(9)6-5-7/h7-8H,2-6H2,1H3

InChIKey

XLRPYZSEQKXZAA-UHFFFAOYSA-N

Compound name

8-methyl-8-azabicyclo[3.2.1]octane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 343
References: 12493
Patents: 125.12045 Da
Monoisotopic Mass: 1.7
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]+	126.12773	127.5
[M+Na]+	148.10967	133.9
[M-H]-	124.11317	128.4
[M+NH4]+	143.15427	151.9
[M+K]+	164.08361	132.3
[M+H-H2O]+	108.11771	122.0
[M+HCOO]-	170.11865	145.7
[M+CH3COO]-	184.13430	172.2
[M+Na-2H]-	146.09512	132.9
[M]+	125.11990	123.5
[M]-	125.12100	123.5

Literature stripe

literature stripe

Patent stripe

patents stripe