CID 23435777

1356386-08-7

Structural Information

Molecular Formula

C₁₂H₂₁NO₂

SMILES

C1CC2(CCC1CC(=O)O)CCNCC2

InChI

InChI=1S/C12H21NO2/c14-11(15)9-10-1-3-12(4-2-10)5-7-13-8-6-12/h10,13H,1-9H2,(H,14,15)

InChIKey

XFGYKKJEYHJEIR-UHFFFAOYSA-N

Compound name

2-(3-azaspiro[5.5]undecan-9-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 211.15723 Da
Monoisotopic Mass: -0.2
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]+	212.16451	152.1
[M+Na]+	234.14645	154.1
[M-H]-	210.14995	151.8
[M+NH4]+	229.19105	169.6
[M+K]+	250.12039	151.1
[M+H-H2O]+	194.15449	145.5
[M+HCOO]-	256.15543	163.7
[M+CH3COO]-	270.17108	179.7
[M+Na-2H]-	232.13190	154.6
[M]+	211.15668	141.3
[M]-	211.15778	141.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe