CID 11435339

2139294-75-8

Structural Information

Molecular Formula

C₁₀H₁₇NO₂

SMILES

COC(=O)C1CC2(C1)CCNCC2

InChI

InChI=1S/C10H17NO2/c1-13-9(12)8-6-10(7-8)2-4-11-5-3-10/h8,11H,2-7H2,1H3

InChIKey

RLLNKDKSEKTZBF-UHFFFAOYSA-N

Compound name

methyl 7-azaspiro[3.5]nonane-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 183.12593 Da
Monoisotopic Mass: 0.7
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	140.6
[M+Na]+	206.115148	144.0
[M-H]-	182.118654	142.6
[M+NH4]+	201.159753	153.9
[M+K]+	222.089088	145.5
[M+H-H2O]+	166.123190	129.9
[M+HCOO]-	228.124131	155.6
[M+CH3COO]-	242.139781	180.4
[M+Na-2H]-	204.100596	144.8
[M]+	183.12538142	143.6
[M]-	183.12647858	143.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe