CID 217064

8-amino-3-methyl-3,8-diazabicyclo[3.2.1]octane-2,4-dione

Structural Information

Molecular Formula
C7H11N3O2
SMILES
CN1C(=O)C2CCC(C1=O)N2N
InChI
InChI=1S/C7H11N3O2/c1-9-6(11)4-2-3-5(7(9)12)10(4)8/h4-5H,2-3,8H2,1H3
InChIKey
REDXCMZCCZLQCV-UHFFFAOYSA-N
Compound name
8-amino-3-methyl-3,8-diazabicyclo[3.2.1]octane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.08513 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.09241 134.7
[M+Na]+ 192.07435 144.0
[M-H]- 168.07785 134.9
[M+NH4]+ 187.11895 156.0
[M+K]+ 208.04829 141.9
[M+H-H2O]+ 152.08239 129.0
[M+HCOO]- 214.08333 153.1
[M+CH3COO]- 228.09898 182.1
[M+Na-2H]- 190.05980 138.3
[M]+ 169.08458 132.0
[M]- 169.08568 132.0
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

No patent data available for this compound.