CID 134819068

2-amino-6-azaspiro[3.4]octan-5-one

Structural Information

Molecular Formula

C₇H₁₂N₂O

SMILES

C1CNC(=O)C12CC(C2)N

InChI

InChI=1S/C7H12N2O/c8-5-3-7(4-5)1-2-9-6(7)10/h5H,1-4,8H2,(H,9,10)

InChIKey

IXOAVPNFUUDKLB-UHFFFAOYSA-N

Compound name

2-amino-6-azaspiro[3.4]octan-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 140.09496 Da
Monoisotopic Mass: -0.9
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]+	141.102236	128.0
[M+Na]+	163.084178	133.6
[M-H]-	139.087684	130.6
[M+NH4]+	158.128783	144.5
[M+K]+	179.058118	134.1
[M+H-H2O]+	123.092220	118.1
[M+HCOO]-	185.093161	147.2
[M+CH3COO]-	199.108811	174.3
[M+Na-2H]-	161.069626	132.3
[M]+	140.09441142	129.9
[M]-	140.09550858	129.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe