CID 137952193

2219353-61-2

Structural Information

Molecular Formula

C₈H₁₃NO₂

SMILES

C1CC12C[C@H](NC2)CC(=O)O

InChI

InChI=1S/C8H13NO2/c10-7(11)3-6-4-8(1-2-8)5-9-6/h6,9H,1-5H2,(H,10,11)/t6-/m1/s1

InChIKey

BAQCCAPOZOIOAA-ZCFIWIBFSA-N

Compound name

2-[(6S)-5-azaspiro[2.4]heptan-6-yl]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 155.09464 Da
Monoisotopic Mass: -2.2
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]+	156.101916	135.8
[M+Na]+	178.083858	144.1
[M-H]-	154.087364	138.3
[M+NH4]+	173.128463	153.0
[M+K]+	194.057798	141.0
[M+H-H2O]+	138.091900	130.9
[M+HCOO]-	200.092841	153.7
[M+CH3COO]-	214.108491	172.8
[M+Na-2H]-	176.069306	140.0
[M]+	155.09409142	134.0
[M]-	155.09518858	134.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe