CID 57467430

1544665-44-2

Structural Information

Molecular Formula

C₉H₁₅NO₂

SMILES

COC(=O)C12CCC(C1)(CC2)N

InChI

InChI=1S/C9H15NO2/c1-12-7(11)8-2-4-9(10,6-8)5-3-8/h2-6,10H2,1H3

InChIKey

SLVBGSLDDDRHKZ-UHFFFAOYSA-N

Compound name

methyl 4-aminobicyclo[2.2.1]heptane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
Patents: 169.11028 Da
Monoisotopic Mass: 0.2
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]+	170.11756	138.1
[M+Na]+	192.09950	144.3
[M+NH4]+	187.14410	149.4
[M+K]+	208.07344	139.8
[M-H]-	168.10300	137.7
[M+Na-2H]-	190.08495	141.7
[M]+	169.10973	138.7
[M]-	169.11083	138.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe