CID 84648780

2,2-dimethyl-1,4-diazepan-5-one

Structural Information

Molecular Formula
C7H14N2O
SMILES
CC1(CNC(=O)CCN1)C
InChI
InChI=1S/C7H14N2O/c1-7(2)5-8-6(10)3-4-9-7/h9H,3-5H2,1-2H3,(H,8,10)
InChIKey
QLGYSCXSBLJZRA-UHFFFAOYSA-N
Compound name
2,2-dimethyl-1,4-diazepan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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 126.9
[M+Na]+ 165.09983 135.0
[M+NH4]+ 160.14443 134.5
[M+K]+ 181.07377 130.4
[M-H]- 141.10333 126.1
[M+Na-2H]- 163.08528 132.2
[M]+ 142.11006 127.6
[M]- 142.11116 127.6
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.