CID 84647893

2,5-diazabicyclo[4.2.0]octan-3-one

Structural Information

Molecular Formula
C6H10N2O
SMILES
C1CC2C1NCC(=O)N2
InChI
InChI=1S/C6H10N2O/c9-6-3-7-4-1-2-5(4)8-6/h4-5,7H,1-3H2,(H,8,9)
InChIKey
NDZURQPQQDGGED-UHFFFAOYSA-N
Compound name
2,5-diazabicyclo[4.2.0]octan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 124.1
[M+Na]+ 149.068533 129.7
[M-H]- 125.072039 122.6
[M+NH4]+ 144.113138 136.8
[M+K]+ 165.042473 130.0
[M+H-H2O]+ 109.076575 113.1
[M+HCOO]- 171.077516 138.3
[M+CH3COO]- 185.093166 169.4
[M+Na-2H]- 147.053981 130.5
[M]+ 126.07876642 125.8
[M]- 126.07986358 125.8
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.