CID 165664425

2792200-64-5

Structural Information

Molecular Formula

C₇H₁₁NO₂

SMILES

C1C2CC1NCC2C(=O)O

InChI

InChI=1S/C7H11NO2/c9-7(10)6-3-8-5-1-4(6)2-5/h4-6,8H,1-3H2,(H,9,10)

InChIKey

AXPAHAQPCPDNQR-UHFFFAOYSA-N

Compound name

2-azabicyclo[3.1.1]heptane-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 141.07898 Da
Monoisotopic Mass: -2.4
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]+	142.086256	136.9
[M+Na]+	164.068198	141.0
[M-H]-	140.071704	132.0
[M+NH4]+	159.112803	153.4
[M+K]+	180.042138	142.4
[M+H-H2O]+	124.076240	128.2
[M+HCOO]-	186.077181	146.6
[M+CH3COO]-	200.092831	177.1
[M+Na-2H]-	162.053646	145.7
[M]+	141.07843142	144.5
[M]-	141.07952858	144.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.