CID 59202076

2,6-diazabicyclo[3.2.1]octan-7-one

Structural Information

Molecular Formula
C6H10N2O
SMILES
C1CNC2CC1NC2=O
InChI
InChI=1S/C6H10N2O/c9-6-5-3-4(8-6)1-2-7-5/h4-5,7H,1-3H2,(H,8,9)
InChIKey
HKYILJYPUXYXKL-UHFFFAOYSA-N
Compound name
2,6-diazabicyclo[3.2.1]octan-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

126.079315 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.086591 126.1
[M+Na]+ 149.068533 132.8
[M-H]- 125.072039 123.1
[M+NH4]+ 144.113138 147.5
[M+K]+ 165.042473 129.8
[M+H-H2O]+ 109.076575 120.4
[M+HCOO]- 171.077516 141.0
[M+CH3COO]- 185.093166 137.8
[M+Na-2H]- 147.053981 131.6
[M]+ 126.07876642 119.1
[M]- 126.07986358 119.1
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