CID 11970448

1,3-diazonan-2-one

Structural Information

Molecular Formula
C7H14N2O
SMILES
C1CCCNC(=O)NCC1
InChI
InChI=1S/C7H14N2O/c10-7-8-5-3-1-2-4-6-9-7/h1-6H2,(H2,8,9,10)
InChIKey
SDFWHCUMXUDWAD-UHFFFAOYSA-N
Compound name
1,3-diazonan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

88
Patents

142.11061 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.117886 184.2
[M+Na]+ 165.099828 186.9
[M-H]- 141.103334 184.5
[M+NH4]+ 160.144433 184.8
[M+K]+ 181.073768 184.6
[M+H-H2O]+ 125.107870 176.2
[M+HCOO]- 187.108811 185.7
[M+CH3COO]- 201.124461 186.5
[M+Na-2H]- 163.085276 187.9
[M]+ 142.11006142 185.1
[M]- 142.11115858 185.1
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