CID 558135

Octahydro-quinolizine-1-carboxylic acid

Structural Information

Molecular Formula

C₁₀H₁₇NO₂

SMILES

C1CCN2CCCC(C2C1)C(=O)O

InChI

InChI=1S/C10H17NO2/c12-10(13)8-4-3-7-11-6-2-1-5-9(8)11/h8-9H,1-7H2,(H,12,13)

InChIKey

ZYQJGZAVMHNFNY-UHFFFAOYSA-N

Compound name

2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 21
Patents: 183.12593 Da
Monoisotopic Mass: -1.1
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	141.2
[M+Na]+	206.115148	144.8
[M-H]-	182.118654	141.4
[M+NH4]+	201.159753	159.6
[M+K]+	222.089088	142.9
[M+H-H2O]+	166.123190	134.7
[M+HCOO]-	228.124131	154.8
[M+CH3COO]-	242.139781	178.9
[M+Na-2H]-	204.100596	144.7
[M]+	183.12538142	133.6
[M]-	183.12647858	133.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.