CID 138990985

2309446-36-2

Structural Information

Molecular Formula

C₈H₁₃NO₂

SMILES

C1C(CC12CNC2)CC(=O)O

InChI

InChI=1S/C8H13NO2/c10-7(11)1-6-2-8(3-6)4-9-5-8/h6,9H,1-5H2,(H,10,11)

InChIKey

WWIYMGMCVWCWTO-UHFFFAOYSA-N

Compound name

2-(2-azaspiro[3.3]heptan-6-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 155.09464 Da
Monoisotopic Mass: -2.4
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]+	156.10192	140.9
[M+Na]+	178.08386	140.8
[M+NH4]+	173.12846	141.4
[M+K]+	194.05780	138.9
[M-H]-	154.08736	135.6
[M+Na-2H]-	176.06931	140.2
[M]+	155.09409	137.0
[M]-	155.09519	137.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.