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 126.2
[M+Na]+ 165.09983 131.3
[M-H]- 141.10333 126.7
[M+NH4]+ 160.14443 143.3
[M+K]+ 181.07377 134.0
[M+H-H2O]+ 125.10787 119.3
[M+HCOO]- 187.10881 142.8
[M+CH3COO]- 201.12446 174.8
[M+Na-2H]- 163.08528 130.5
[M]+ 142.11006 118.8
[M]- 142.11116 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.