CID 23456078

80103-01-1

Structural Information

Molecular Formula

C₁₂H₁₉NO₂

SMILES

COC(=O)C12CC3CC(C1)CC(C3)C2N

InChI

InChI=1S/C12H19NO2/c1-15-11(14)12-5-7-2-8(6-12)4-9(3-7)10(12)13/h7-10H,2-6,13H2,1H3

InChIKey

BMCTUOOXHFSRDB-UHFFFAOYSA-N

Compound name

methyl 2-aminoadamantane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 209.14159 Da
Monoisotopic Mass: 1.6
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	154.2
[M+NH4]+	227.17541	158.5
[M+K]+	248.10475	146.1
[M-H]-	208.13431	144.2
[M+Na-2H]-	230.11626	142.8
[M]+	209.14104	146.8
[M]-	209.14214	146.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe