CID 138987530

2305251-70-9

Structural Information

Molecular Formula

C₁₀H₁₇NO₂

SMILES

COC(=O)CC1CCNC2(C1)CC2

InChI

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

InChIKey

NFFASVZQRZQUSD-UHFFFAOYSA-N

Compound name

methyl 2-(4-azaspiro[2.5]octan-7-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
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	146.3
[M+Na]+	206.115148	153.4
[M-H]-	182.118654	149.6
[M+NH4]+	201.159753	161.5
[M+K]+	222.089088	151.3
[M+H-H2O]+	166.123190	140.3
[M+HCOO]-	228.124131	163.2
[M+CH3COO]-	242.139781	180.7
[M+Na-2H]-	204.100596	151.0
[M]+	183.12538142	144.9
[M]-	183.12647858	144.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe