CID 3157067

60256-21-5

Structural Information

Molecular Formula

C₁₂H₁₉NO₂

SMILES

C1C2CC3CC1CC(C2)(C3)C(C(=O)O)N

InChI

InChI=1S/C12H19NO2/c13-10(11(14)15)12-4-7-1-8(5-12)3-9(2-7)6-12/h7-10H,1-6,13H2,(H,14,15)

InChIKey

NJRFVURYVWPLKB-UHFFFAOYSA-N

Compound name

2-(1-adamantyl)-2-aminoacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 92
Patents: 209.14159 Da
Monoisotopic Mass: -0.5
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]+	210.14887	146.3
[M+Na]+	232.13081	152.9
[M+NH4]+	227.17541	158.0
[M+K]+	248.10475	145.7
[M-H]-	208.13431	143.4
[M+Na-2H]-	230.11626	142.1
[M]+	209.14104	146.2
[M]-	209.14214	146.2

Literature stripe

literature stripe

Patent stripe

patents stripe