CID 550836

76198-36-2

Structural Information

Molecular Formula

C₈H₁₃NO₂

SMILES

C1CC2CC1C(C2N)C(=O)O

InChI

InChI=1S/C8H13NO2/c9-7-5-2-1-4(3-5)6(7)8(10)11/h4-7H,1-3,9H2,(H,10,11)

InChIKey

JSYLGUSANAWARQ-UHFFFAOYSA-N

Compound name

3-aminobicyclo[2.2.1]heptane-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 208
Patents: 155.09464 Da
Monoisotopic Mass: -1.5
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]+	156.10192	132.2
[M+Na]+	178.08386	138.7
[M+NH4]+	173.12846	140.6
[M+K]+	194.05780	138.6
[M-H]-	154.08736	131.6
[M+Na-2H]-	176.06931	132.0
[M]+	155.09409	132.4
[M]-	155.09519	132.4

Literature stripe

literature stripe

Patent stripe

patents stripe