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]+ 143.11789 184.2
[M+Na]+ 165.09983 186.9
[M-H]- 141.10333 184.5
[M+NH4]+ 160.14443 184.8
[M+K]+ 181.07377 184.6
[M+H-H2O]+ 125.10787 176.2
[M+HCOO]- 187.10881 185.7
[M+CH3COO]- 201.12446 186.5
[M+Na-2H]- 163.08528 187.9
[M]+ 142.11006 185.1
[M]- 142.11116 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