CID 154703393

2375193-32-9

Structural Information

Molecular Formula

C₈H₁₃NO₂

SMILES

C1CC2(CC(C1)(C2)N)C(=O)O

InChI

InChI=1S/C8H13NO2/c9-8-3-1-2-7(4-8,5-8)6(10)11/h1-5,9H2,(H,10,11)

InChIKey

ANOAGBGBTWMTTC-UHFFFAOYSA-N

Compound name

5-aminobicyclo[3.1.1]heptane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 155.09464 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]+	156.101916	147.3
[M+Na]+	178.083858	151.8
[M-H]-	154.087364	144.8
[M+NH4]+	173.128463	168.1
[M+K]+	194.057798	152.8
[M+H-H2O]+	138.091900	139.6
[M+HCOO]-	200.092841	159.3
[M+CH3COO]-	214.108491	182.2
[M+Na-2H]-	176.069306	157.2
[M]+	155.09409142	155.0
[M]-	155.09518858	155.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.