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

3
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 127.7
[M+Na]+ 165.09983 132.3
[M-H]- 141.10333 126.8
[M+NH4]+ 160.14443 145.7
[M+K]+ 181.07377 133.9
[M+H-H2O]+ 125.10787 121.2
[M+HCOO]- 187.10881 142.8
[M+CH3COO]- 201.12446 170.9
[M+Na-2H]- 163.08528 133.0
[M]+ 142.11006 118.4
[M]- 142.11116 118.4
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