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

14
Patents

140.05858 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.065856 137.2
[M+Na]+ 163.047798 143.7
[M-H]- 139.051304 133.9
[M+NH4]+ 158.092403 156.0
[M+K]+ 179.021738 144.6
[M+H-H2O]+ 123.055840 128.7
[M+HCOO]- 185.056781 150.0
[M+CH3COO]- 199.072431 179.8
[M+Na-2H]- 161.033246 147.6
[M]+ 140.05803142 145.2
[M]- 140.05912858 145.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe