CID 3048944

Cis-2-methylspiro(1,3-dioxolane-4,3')quinuclidine hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₇NO₂

SMILES

CC1OCC2(O1)CN3CCC2CC3

InChI

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

InChIKey

NUCNXJPAVKOMRW-UHFFFAOYSA-N

Compound name

2-methylspiro[1,3-dioxolane-4,3'-1-azabicyclo[2.2.2]octane]

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 8
Patents: 183.12593 Da
Monoisotopic Mass: 0.7
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]+	184.133206	134.3
[M+Na]+	206.115148	139.0
[M-H]-	182.118654	133.7
[M+NH4]+	201.159753	158.3
[M+K]+	222.089088	139.3
[M+H-H2O]+	166.123190	128.6
[M+HCOO]-	228.124131	143.1
[M+CH3COO]-	242.139781	145.6
[M+Na-2H]-	204.100596	144.7
[M]+	183.12538142	134.7
[M]-	183.12647858	134.7

Literature stripe

literature stripe

Patent stripe

patents stripe