CID 137965804

2-(aminomethyl)bicyclo[2.2.2]octane-2-carboxylic acid hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₇NO₂

SMILES

C1CC2CCC1CC2(CN)C(=O)O

InChI

InChI=1S/C10H17NO2/c11-6-10(9(12)13)5-7-1-3-8(10)4-2-7/h7-8H,1-6,11H2,(H,12,13)

InChIKey

WMMJBRAJSIKUPF-UHFFFAOYSA-N

Compound name

2-(aminomethyl)bicyclo[2.2.2]octane-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
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	142.0
[M+Na]+	206.115148	145.6
[M-H]-	182.118654	136.8
[M+NH4]+	201.159753	166.9
[M+K]+	222.089088	143.2
[M+H-H2O]+	166.123190	138.3
[M+HCOO]-	228.124131	152.0
[M+CH3COO]-	242.139781	151.7
[M+Na-2H]-	204.100596	151.7
[M]+	183.12538142	140.0
[M]-	183.12647858	140.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.