CID 129371681

Refchem:397870

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]+ 143.117886 126.2
[M+Na]+ 165.099828 131.3
[M-H]- 141.103334 126.7
[M+NH4]+ 160.144433 143.3
[M+K]+ 181.073768 134.0
[M+H-H2O]+ 125.107870 119.3
[M+HCOO]- 187.108811 142.8
[M+CH3COO]- 201.124461 174.8
[M+Na-2H]- 163.085276 130.5
[M]+ 142.11006142 118.8
[M]- 142.11115858 118.8
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.