CID 2882775

95853-32-0

Structural Information

Molecular Formula

C₁₃H₂₁NO₂

SMILES

COC(=O)C(C12CC3CC(C1)CC(C3)C2)N

InChI

InChI=1S/C13H21NO2/c1-16-12(15)11(14)13-5-8-2-9(6-13)4-10(3-8)7-13/h8-11H,2-7,14H2,1H3

InChIKey

LHKFCXJRGNQYNN-UHFFFAOYSA-N

Compound name

methyl 2-(1-adamantyl)-2-aminoacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 2
Patents: 223.15723 Da
Monoisotopic Mass: 2.1
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]+	224.16451	151.1
[M+Na]+	246.14645	158.0
[M+NH4]+	241.19105	163.0
[M+K]+	262.12039	150.2
[M-H]-	222.14995	148.6
[M+Na-2H]-	244.13190	147.1
[M]+	223.15668	151.2
[M]-	223.15778	151.2

Literature stripe

literature stripe

Patent stripe

patents stripe