CID 129371681

(2s)-2,4-dimethyl-1,4-diazepan-5-one

Structural Information

Molecular Formula
C7H14N2O
SMILES
C[C@H]1CN(C(=O)CCN1)C
InChI
InChI=1S/C7H14N2O/c1-6-5-9(2)7(10)3-4-8-6/h6,8H,3-5H2,1-2H3/t6-/m0/s1
InChIKey
GMUFZZGGECBECZ-LURJTMIESA-N
Compound name
(2S)-2,4-dimethyl-1,4-diazepan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 128.3
[M+Na]+ 165.09983 137.2
[M+NH4]+ 160.14443 135.0
[M+K]+ 181.07377 133.9
[M-H]- 141.10333 128.1
[M+Na-2H]- 163.08528 132.4
[M]+ 142.11006 129.3
[M]- 142.11116 129.3
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.