CID 45084820

1384427-36-4

Structural Information

Molecular Formula

C₈H₁₃NO₂

SMILES

C1CC2(CCC1(C2)C(=O)O)N

InChI

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

InChIKey

MDYXIODNSNZLHX-UHFFFAOYSA-N

Compound name

4-aminobicyclo[2.2.1]heptane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 63
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]+	156.10192	133.6
[M+Na]+	178.08386	139.5
[M+NH4]+	173.12846	144.7
[M+K]+	194.05780	135.5
[M-H]-	154.08736	132.7
[M+Na-2H]-	176.06931	136.8
[M]+	155.09409	133.9
[M]-	155.09519	133.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe