CID 84075447

2361634-43-5

Structural Information

Molecular Formula

C₈H₁₃NO₂

SMILES

COC(=O)C1CC2(C1)CNC2

InChI

InChI=1S/C8H13NO2/c1-11-7(10)6-2-8(3-6)4-9-5-8/h6,9H,2-5H2,1H3

InChIKey

SXHJDASDLOLCPA-UHFFFAOYSA-N

Compound name

methyl 2-azaspiro[3.3]heptane-6-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 99
Patents: 155.09464 Da
Monoisotopic Mass: 0.0
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]+	156.101916	128.5
[M+Na]+	178.083858	132.4
[M-H]-	154.087364	131.3
[M+NH4]+	173.128463	136.2
[M+K]+	194.057798	137.0
[M+H-H2O]+	138.091900	115.0
[M+HCOO]-	200.092841	144.2
[M+CH3COO]-	214.108491	186.0
[M+Na-2H]-	176.069306	133.6
[M]+	155.09409142	142.4
[M]-	155.09518858	142.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe