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: 10
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	137.2
[M+Na]+	163.04780	143.7
[M-H]-	139.05130	133.9
[M+NH4]+	158.09240	156.0
[M+K]+	179.02174	144.6
[M+H-H2O]+	123.05584	128.7
[M+HCOO]-	185.05678	150.0
[M+CH3COO]-	199.07243	179.8
[M+Na-2H]-	161.03325	147.6
[M]+	140.05803	145.2
[M]-	140.05913	145.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe