CID 62778954

Methyl 2-aminoadamantane-2-carboxylate

Structural Information

Molecular Formula

C₁₂H₁₉NO₂

SMILES

COC(=O)C1(C2CC3CC(C2)CC1C3)N

InChI

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

InChIKey

PYOLCEFLWZRKCO-UHFFFAOYSA-N

Compound name

methyl 2-aminoadamantane-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 209.14159 Da
Monoisotopic Mass: 1.4
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]+	210.14887	149.4
[M+Na]+	232.13081	151.8
[M-H]-	208.13431	144.4
[M+NH4]+	227.17541	174.7
[M+K]+	248.10475	149.5
[M+H-H2O]+	192.13885	144.0
[M+HCOO]-	254.13979	156.5
[M+CH3COO]-	268.15544	158.1
[M+Na-2H]-	230.11626	158.7
[M]+	209.14104	149.0
[M]-	209.14214	149.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe