CID 2852887

80110-35-6

Structural Information

Molecular Formula

C₁₂H₁₉NO₂

SMILES

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

InChI

InChI=1S/C12H19NO2/c1-15-10(14)11-3-8-2-9(4-11)6-12(13,5-8)7-11/h8-9H,2-7,13H2,1H3

InChIKey

YCDFPJJVFUVJJF-UHFFFAOYSA-N

Compound name

methyl 3-aminoadamantane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 71
Patents: 209.14159 Da
Monoisotopic Mass: 1.0
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	150.5
[M+Na]+	232.13081	153.4
[M-H]-	208.13431	145.5
[M+NH4]+	227.17541	177.5
[M+K]+	248.10475	150.8
[M+H-H2O]+	192.13885	144.6
[M+HCOO]-	254.13979	157.6
[M+CH3COO]-	268.15544	159.3
[M+Na-2H]-	230.11626	161.2
[M]+	209.14104	150.2
[M]-	209.14214	150.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe