CID 69315246

2097959-26-5

Structural Information

Molecular Formula

C₉H₁₅NO₂

SMILES

COC(=O)C1(CC2(C1)CCC2)N

InChI

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

InChIKey

GASFARBVOCDRLO-UHFFFAOYSA-N

Compound name

methyl 2-aminospiro[3.3]heptane-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 169.11028 Da
Monoisotopic Mass: 1.1
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]+	170.11756	147.2
[M+Na]+	192.09950	146.8
[M+NH4]+	187.14410	149.6
[M+K]+	208.07344	143.0
[M-H]-	168.10300	143.5
[M+Na-2H]-	190.08495	148.2
[M]+	169.10973	144.0
[M]-	169.11083	144.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe