CID 132133512

2580207-01-6

Structural Information

Molecular Formula

C₆H₈N₂O₂

SMILES

C1C2CC1(C(=O)NC2=O)N

InChI

InChI=1S/C6H8N2O2/c7-6-1-3(2-6)4(9)8-5(6)10/h3H,1-2,7H2,(H,8,9,10)

InChIKey

UAIUQGKKENEURD-UHFFFAOYSA-N

Compound name

1-amino-3-azabicyclo[3.1.1]heptane-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 140.05858 Da
Monoisotopic Mass: -1.5
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]+	141.06586	126.6
[M+Na]+	163.04780	131.1
[M+NH4]+	158.09240	132.9
[M+K]+	179.02174	126.5
[M-H]-	139.05130	121.1
[M+Na-2H]-	161.03325	123.6
[M]+	140.05803	124.3
[M]-	140.05913	124.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe