CID 155973545

4-(methoxymethyl)-2-azabicyclo[2.1.1]hexane-1-carboxylic acid hydrochloride

Structural Information

Molecular Formula

C₈H₁₃NO₃

SMILES

COCC12CC(C1)(NC2)C(=O)O

InChI

InChI=1S/C8H13NO3/c1-12-5-7-2-8(3-7,6(10)11)9-4-7/h9H,2-5H2,1H3,(H,10,11)

InChIKey

NKINGJLKDSWRBN-UHFFFAOYSA-N

Compound name

4-(methoxymethyl)-2-azabicyclo[2.1.1]hexane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 171.08954 Da
Monoisotopic Mass: -2.8
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]+	172.096816	147.6
[M+Na]+	194.078758	153.4
[M-H]-	170.082264	145.1
[M+NH4]+	189.123363	169.4
[M+K]+	210.052698	153.9
[M+H-H2O]+	154.086800	141.3
[M+HCOO]-	216.087741	161.5
[M+CH3COO]-	230.103391	178.4
[M+Na-2H]-	192.064206	154.6
[M]+	171.08899142	159.5
[M]-	171.09008858	159.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.