CID 121207783

2241141-33-1

Structural Information

Molecular Formula

C₁₀H₁₇NO₂

SMILES

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

InChI

InChI=1S/C10H17NO2/c1-2-13-8(12)10(11)6-9(7-10)4-3-5-9/h2-7,11H2,1H3

InChIKey

AQEUFYYGEDPHLC-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 183.12593 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]+	184.133206	141.1
[M+Na]+	206.115148	144.3
[M-H]-	182.118654	146.0
[M+NH4]+	201.159753	150.7
[M+K]+	222.089088	148.9
[M+H-H2O]+	166.123190	128.6
[M+HCOO]-	228.124131	158.7
[M+CH3COO]-	242.139781	194.7
[M+Na-2H]-	204.100596	145.5
[M]+	183.12538142	155.4
[M]-	183.12647858	155.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.